2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide

C16H26N2O2S — CID 62406135

IUPAC2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
SMILESCCC(Nc1ccccc1S(=O)(=O)NC)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-14(13-9-5-4-6-10-13)18-15-11-7-8-12-16(15)21(19,20)17-2/h7-8,11-14,17-18H,3-6,9-10H2,1-2H3
InChIKeyJPVMKBHMKGJOAA-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.37
Rot. Bonds6

About 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide

2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide (PubChem CID 62406135) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
PubChem CID62406135
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
SMILESCCC(Nc1ccccc1S(=O)(=O)NC)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-14(13-9-5-4-6-10-13)18-15-11-7-8-12-16(15)21(19,20)17-2/h7-8,11-14,17-18H,3-6,9-10H2,1-2H3
InChIKeyJPVMKBHMKGJOAA-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylpropyl)-2-hydrazinylbenzenesulfonamide
CID 62405804
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide (CID 62406135) is 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide is CCC(Nc1ccccc1S(=O)(=O)NC)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide?
The InChIKey is JPVMKBHMKGJOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-14(13-9-5-4-6-10-13)18-15-11-7-8-12-16(15)21(19,20)17-2/h7-8,11-14,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide?
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62406135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).