N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide

C14H25NO3S — CID 110016149

IUPACN-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)C1CCCC1O
InChIInChI=1S/C14H25NO3S/c1-2-19(18)13-9-4-3-7-11(13)15-14(17)10-6-5-8-12(10)16/h10-13,16H,2-9H2,1H3,(H,15,17)
InChIKeyBLPFEGVIBLALJR-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.34
Rot. Bonds4

About N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide

N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016149) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016149
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC NameN-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)C1CCCC1O
InChIInChI=1S/C14H25NO3S/c1-2-19(18)13-9-4-3-7-11(13)15-14(17)10-6-5-8-12(10)16/h10-13,16H,2-9H2,1H3,(H,15,17)
InChIKeyBLPFEGVIBLALJR-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide 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

cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol
CID 11148041
N-(2-ethylsulfinylcyclohexyl)-3-hydroxypiperidine-1-carboxamide
CID 71923149
(3R)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 124840665
(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 96995662
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
CID 71923151
N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111912577
3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111934138
1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
CID 75377549
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
CID 124864793
N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75377552

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide (CID 110016149) is N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide is CCS(=O)C1CCCCC1NC(=O)C1CCCC1O.
What is the InChIKey of N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is BLPFEGVIBLALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-19(18)13-9-4-3-7-11(13)15-14(17)10-6-5-8-12(10)16/h10-13,16H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide?
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).