N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide

C15H27NO2S — CID 71861380

IUPACN-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESCCSC1CCCCC1NC(=O)CCC1CCCO1
InChIInChI=1S/C15H27NO2S/c1-2-19-14-8-4-3-7-13(14)16-15(17)10-9-12-6-5-11-18-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWOBFDSAIMMODOB-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.13
Rot. Bonds6

About N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide

N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide (PubChem CID 71861380) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
PubChem CID71861380
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESCCSC1CCCCC1NC(=O)CCC1CCCO1
InChIInChI=1S/C15H27NO2S/c1-2-19-14-8-4-3-7-13(14)16-15(17)10-9-12-6-5-11-18-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWOBFDSAIMMODOB-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide 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

N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
N-(3-methylpiperidin-4-yl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 120557577
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
CID 129397247
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide (CID 71861380) is N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide is CCSC1CCCCC1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is WOBFDSAIMMODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-2-19-14-8-4-3-7-13(14)16-15(17)10-9-12-6-5-11-18-12/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide?
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 285.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 71861380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).