1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine

C16H26N2O2S — CID 113072676

IUPAC1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)15-5-7-16(8-6-15)21(19,20)18-11-9-17(10-12-18)14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyCMAASAAGVGPBRW-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.52
Rot. Bonds4

About 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine

1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 113072676) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID113072676
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)15-5-7-16(8-6-15)21(19,20)18-11-9-17(10-12-18)14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyCMAASAAGVGPBRW-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
2-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43584968
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 113072676) is 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is CMAASAAGVGPBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)15-5-7-16(8-6-15)21(19,20)18-11-9-17(10-12-18)14(3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 310.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113072676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).