N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine

C17H35NO2S — CID 105014322

IUPACN-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-5-9-14(10-6-2)17(18-7-3)15-11-8-12-16(13-15)21(4,19)20/h14-18H,5-13H2,1-4H3
InChIKeyWAYHTIGKRAHYEA-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.78
Rot. Bonds9

About N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine

N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine (PubChem CID 105014322) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine
PubChem CID105014322
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC NameN-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-5-9-14(10-6-2)17(18-7-3)15-11-8-12-16(13-15)21(4,19)20/h14-18H,5-13H2,1-4H3
InChIKeyWAYHTIGKRAHYEA-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
3,3,3-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061842
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylpropan-1-amine
CID 80061844
N-ethyl-3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80062024
4,4,4-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071954
N-ethyl-4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80072074
4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 80077585
N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine
CID 103516904
2,2-difluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 103516906
N-[2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine
CID 105014291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine (CID 105014322) is N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine is CCCC(CCC)C(NCC)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine?
The InChIKey is WAYHTIGKRAHYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-5-9-14(10-6-2)17(18-7-3)15-11-8-12-16(13-15)21(4,19)20/h14-18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine?
N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine is sourced from PubChem (CID 105014322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).