N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide

C16H21N3O4S — CID 97248650

About N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide

N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 97248650) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide
• PubChem CID: 97248650
• Molecular Formula: C16H21N3O4S
• Molecular Weight: 351.43 g/mol
• Exact Mass: 351.13
• IUPAC Name: N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide
• SMILES: CN(CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)S(C)(=O)=O
• InChI: InChI=1S/C16H21N3O4S/c1-16(13-8-7-11-5-4-6-12(11)9-13)14(20)19(15(21)17-16)10-18(2)24(3,22)23/h7-9H,4-6,10H2,1-3H3,(H,17,21)/t16-/m0/s1
• InChIKey: ZWFAAKFCVCNLHB-INIZCTEOSA-N
• XLogP: 0.79
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.43
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide (CID 97248650) is N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide is CN(CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)S(C)(=O)=O.

What is the InChIKey of N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide?

The InChIKey is ZWFAAKFCVCNLHB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-16(13-8-7-11-5-4-6-12(11)9-13)14(20)19(15(21)17-16)10-18(2)24(3,22)23/h7-9H,4-6,10H2,1-3H3,(H,17,21)/t16-/m0/s1.

What are the key properties of N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide?

N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 97248650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).