5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide

C17H36N2O2S — CID 57100682

IUPAC5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide
SMILESCC(C)CCCNC(CCCS(N)(=O)=O)CC1CCCCC1
InChIInChI=1S/C17H36N2O2S/c1-15(2)8-6-12-19-17(11-7-13-22(18,20)21)14-16-9-4-3-5-10-16/h15-17,19H,3-14H2,1-2H3,(H2,18,20,21)
InChIKeyGRWKPOUTNVJOKU-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.42
Rot. Bonds11

About 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide

5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide (PubChem CID 57100682) has the molecular formula C17H36N2O2S and a molecular weight of 332.55 g/mol. Its IUPAC name is 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide
PubChem CID57100682
Molecular FormulaC17H36N2O2S
Molecular Weight332.55 g/mol
Exact Mass332.25
IUPAC Name5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide
SMILESCC(C)CCCNC(CCCS(N)(=O)=O)CC1CCCCC1
InChIInChI=1S/C17H36N2O2S/c1-15(2)8-6-12-19-17(11-7-13-22(18,20)21)14-16-9-4-3-5-10-16/h15-17,19H,3-14H2,1-2H3,(H2,18,20,21)
InChIKeyGRWKPOUTNVJOKU-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(octylamino)ethanesulfonamide
CID 45480036
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
N-di-methylmyristylammoniopropanesulfonate
CID 88923318
4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine;hydrochloride
CID 54601941
4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
CID 197886
N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 102609624
N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 102674826
N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 104844787
N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 106334678
N,N-dimethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 106335034
N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 106335188
N,N-dimethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 106336038

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide?
The IUPAC name of 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide (CID 57100682) is 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide.
What is the SMILES notation for 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide?
The canonical SMILES for 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide is CC(C)CCCNC(CCCS(N)(=O)=O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide?
The InChIKey is GRWKPOUTNVJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2S/c1-15(2)8-6-12-19-17(11-7-13-22(18,20)21)14-16-9-4-3-5-10-16/h15-17,19H,3-14H2,1-2H3,(H2,18,20,21).
What are the key properties of 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide?
5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide has a molecular weight of 332.55 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide is sourced from PubChem (CID 57100682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).