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

C19H30N2O2S — CID 3540501

IUPAC1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-16(2)17-8-10-19(11-9-17)24(22,23)21-14-12-20(13-15-21)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3
InChIKeySWSNUZFFIBZALQ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.45
Rot. Bonds4

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

1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 3540501) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID3540501
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-16(2)17-8-10-19(11-9-17)24(22,23)21-14-12-20(13-15-21)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3
InChIKeySWSNUZFFIBZALQ-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 3192450
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477813

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 3540501) is 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is SWSNUZFFIBZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16(2)17-8-10-19(11-9-17)24(22,23)21-14-12-20(13-15-21)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 350.53 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 3540501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).