N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide

C15H27NO2S — CID 124860116

IUPACN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCS[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCO1
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)/t12-,13+,14-/m1/s1
InChIKeyWOBFDSAIMMODOB-HZSPNIEDSA-N
MW285.45 g/mol
LogP3.13
Rot. Bonds6

About N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 124860116) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID124860116
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCS[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCO1
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)/t12-,13+,14-/m1/s1
InChIKeyWOBFDSAIMMODOB-HZSPNIEDSA-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

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Related Compounds

N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
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-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 124860116) is N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide is CCS[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCO1.
What is the InChIKey of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is WOBFDSAIMMODOB-HZSPNIEDSA-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)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-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-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 124860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).