N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide

C18H34N2O3S — CID 108566173

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H34N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h16-17,19H,2-15H2,1H3
InChIKeySBVKXHGEWAMTNE-UHFFFAOYSA-N
MW358.55 g/mol
LogP3.06
Rot. Bonds8

About N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108566173) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID108566173
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H34N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h16-17,19H,2-15H2,1H3
InChIKeySBVKXHGEWAMTNE-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822591
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566208
4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide (CID 108566173) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is SBVKXHGEWAMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 358.55 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108566173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).