(3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C59H122N12O10S3 — CID 160996367

About (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

(3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 160996367) has the molecular formula C59H122N12O10S3 and a molecular weight of 1255.90 g/mol. Its IUPAC name is (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 160996367
• Molecular Formula: C59H122N12O10S3
• Molecular Weight: 1255.90 g/mol
• Exact Mass: 1254.86
• IUPAC Name: (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
• SMILES: CC(=O)N1CCN(C(C)C)CC1.CC(C)N1C(=O)CNC1=O.CC(C)N1CCCCC1=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCNCC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CC[C@@H](C)C1
• InChI: InChI=1S/C9H18N2O.C8H18N2O2S.C8H15NO.C8H17N.C7H16N2.C7H15NO2S.C6H10N2O2.C6H13NO2S/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-6-4-3-5-8(9)10;1-7(2)9-5-4-8(3)6-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-4(2)8-5(9)3-7-6(8)10;1-6(2)7-4-3-5-10(7,8)9/h8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4H,3H2,1-2H3,(H,7,10);6H,3-5H2,1-2H3/t;;;8-;;;;/m...1..../s1
• InChIKey: TVHKXEBHIVISRL-UCBNZCPESA-N
• XLogP: 4.48
• TPSA: 227.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.90
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?

The IUPAC name of (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 160996367) is (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

What is the SMILES notation for (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?

The canonical SMILES for (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(=O)N1CCN(C(C)C)CC1.CC(C)N1C(=O)CNC1=O.CC(C)N1CCCCC1=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCNCC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CC[C@@H](C)C1.

What is the InChIKey of (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?

The InChIKey is TVHKXEBHIVISRL-UCBNZCPESA-N. The full InChI is InChI=1S/C9H18N2O.C8H18N2O2S.C8H15NO.C8H17N.C7H16N2.C7H15NO2S.C6H10N2O2.C6H13NO2S/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-6-4-3-5-8(9)10;1-7(2)9-5-4-8(3)6-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-4(2)8-5(9)3-7-6(8)10;1-6(2)7-4-3-5-10(7,8)9/h8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4H,3H2,1-2H3,(H,7,10);6H,3-5H2,1-2H3/t;;;8-;;;;/m...1..../s1.

What are the key properties of (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?

(3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 1255.90 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-1-propan-2-ylpyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 160996367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).