N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide

C16H34N2O2S — CID 110440573

IUPACN-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-3-4-15-21(19,20)17-13-9-6-10-14-18(2)16-11-7-5-8-12-16/h16-17H,3-15H2,1-2H3
InChIKeyFHSPLSPWJSECFT-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.14
Rot. Bonds11

About N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide

N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide (PubChem CID 110440573) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
PubChem CID110440573
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-3-4-15-21(19,20)17-13-9-6-10-14-18(2)16-11-7-5-8-12-16/h16-17H,3-15H2,1-2H3
InChIKeyFHSPLSPWJSECFT-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
N-decylbutane-1-sulfonamide
CID 19681427
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-pentylcyclobutanamine
CID 142562644
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113056755
N-cyclohexyl-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113052978

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide?
The IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide (CID 110440573) is N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCCCN(C)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide?
The InChIKey is FHSPLSPWJSECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-3-4-15-21(19,20)17-13-9-6-10-14-18(2)16-11-7-5-8-12-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide?
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide has a molecular weight of 318.53 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide is sourced from PubChem (CID 110440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).