1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine

C17H35NO2S — CID 80611662

IUPAC1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1CCCCCCC1
InChIInChI=1S/C17H35NO2S/c1-3-14-18-17(13-10-15-21(19,20)4-2)16-11-8-6-5-7-9-12-16/h16-18H,3-15H2,1-2H3
InChIKeyJOBSCAPWLXZKGN-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.93
Rot. Bonds9

About 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine

1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine (PubChem CID 80611662) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
PubChem CID80611662
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC Name1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1CCCCCCC1
InChIInChI=1S/C17H35NO2S/c1-3-14-18-17(13-10-15-21(19,20)4-2)16-11-8-6-5-7-9-12-16/h16-18H,3-15H2,1-2H3
InChIKeyJOBSCAPWLXZKGN-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-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

1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine (CID 80611662) is 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine?
The InChIKey is JOBSCAPWLXZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-3-14-18-17(13-10-15-21(19,20)4-2)16-11-8-6-5-7-9-12-16/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine?
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 80611662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).