2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide

C16H26N2O2S — CID 43454559

IUPAC2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-17-21(19,20)16-10-5-4-9-15(16)18-14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3
InChIKeySEMHSRVEMFVVHY-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.37
Rot. Bonds6

About 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide

2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide (PubChem CID 43454559) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
PubChem CID43454559
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-17-21(19,20)16-10-5-4-9-15(16)18-14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3
InChIKeySEMHSRVEMFVVHY-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

2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
CID 80715326
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 107115787
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide (CID 43454559) is 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC1CCCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is SEMHSRVEMFVVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-11-17-21(19,20)16-10-5-4-9-15(16)18-14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3.
What are the key properties of 2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide?
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide 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-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 43454559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).