4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide

C13H25N3O3S — CID 61067621

IUPAC4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O3S/c14-20(18,19)16-10-8-15(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,18,19)
InChIKeyIMUHMWNKYOYCKX-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.69
Rot. Bonds4

About 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide

4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide (PubChem CID 61067621) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
PubChem CID61067621
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O3S/c14-20(18,19)16-10-8-15(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,18,19)
InChIKeyIMUHMWNKYOYCKX-UHFFFAOYSA-N
XLogP0.69
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide (CID 61067621) is 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide?
The InChIKey is IMUHMWNKYOYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-20(18,19)16-10-8-15(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,18,19).
What are the key properties of 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide?
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61067621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).