2-(cyclohexylamino)-N-octylethanesulfonamide

C16H34N2O2S — CID 45480035

IUPAC2-(cyclohexylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-18-21(19,20)15-14-17-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3
InChIKeyFUHQFQIVRKULQT-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.19
Rot. Bonds12

About 2-(cyclohexylamino)-N-octylethanesulfonamide

2-(cyclohexylamino)-N-octylethanesulfonamide (PubChem CID 45480035) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-octylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-octylethanesulfonamide
PubChem CID45480035
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2-(cyclohexylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-18-21(19,20)15-14-17-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3
InChIKeyFUHQFQIVRKULQT-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.19
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-dodecylcyclohexanamine
CID 3679395
N-octadecylpropane-1-sulfonamide
CID 88827291
N-decylbutane-1-sulfonamide
CID 19681427
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 114135066
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N,N'-dihexadecylmethanedisulfonamide
CID 140586841

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-octylethanesulfonamide?
The IUPAC name of 2-(cyclohexylamino)-N-octylethanesulfonamide (CID 45480035) is 2-(cyclohexylamino)-N-octylethanesulfonamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-octylethanesulfonamide?
The canonical SMILES for 2-(cyclohexylamino)-N-octylethanesulfonamide is CCCCCCCCNS(=O)(=O)CCNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-octylethanesulfonamide?
The InChIKey is FUHQFQIVRKULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-18-21(19,20)15-14-17-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3.
What are the key properties of 2-(cyclohexylamino)-N-octylethanesulfonamide?
2-(cyclohexylamino)-N-octylethanesulfonamide has a molecular weight of 318.53 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-octylethanesulfonamide is sourced from PubChem (CID 45480035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).