1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine

C13H28N2O2S — CID 135196338

IUPAC1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-13(4)15-8-6-14(7-9-15)10-11-18(16,17)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyPPAKZMKESOLFJL-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.23
Rot. Bonds6

About 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine

1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 135196338) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID135196338
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-13(4)15-8-6-14(7-9-15)10-11-18(16,17)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyPPAKZMKESOLFJL-UHFFFAOYSA-N
XLogP1.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
Cambridge id 6502799
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CID 10987084
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
3,4-Bis(dimethylamino)thiolane-1,1-dione
CID 3094473
1-(2-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 84592132
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 86794900
3-(4-Methylpiperazin-1-YL)propane-1-sulfonyl chloride
CID 22007518
1-Butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
CID 130440602
1-(Ethylsulfonyl)-4-isopropylpiperazine
CID 740714
1-(Butan-2-yl)-4-(ethylsulfonyl)piperazine
CID 2901815
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine (CID 135196338) is 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine is CCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is PPAKZMKESOLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-13(4)15-8-6-14(7-9-15)10-11-18(16,17)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 135196338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).