N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine

C17H35NO2S — CID 105014365

IUPACN-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-4-6-7-8-9-13-17(18-5-2)15-11-10-12-16(14-15)21(3,19)20/h15-18H,4-14H2,1-3H3
InChIKeyWFNDHZHCUGCNOO-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.93
Rot. Bonds10

About N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine

N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine (PubChem CID 105014365) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
PubChem CID105014365
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC NameN-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-4-6-7-8-9-13-17(18-5-2)15-11-10-12-16(14-15)21(3,19)20/h15-18H,4-14H2,1-3H3
InChIKeyWFNDHZHCUGCNOO-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
3-(2,2-difluoroethoxy)-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 103149570
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
N-ethyl-1-(3-methylsulfonylcyclohexyl)-2-propylpentan-1-amine
CID 105014322
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014334
2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 105014208
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine (CID 105014365) is N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine is CCCCCCCC(NCC)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine?
The InChIKey is WFNDHZHCUGCNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-4-6-7-8-9-13-17(18-5-2)15-11-10-12-16(14-15)21(3,19)20/h15-18H,4-14H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine?
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.93, 10 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)octan-1-amine is sourced from PubChem (CID 105014365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).