(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

C16H24N2O2S — CID 95326985

IUPAC(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21-15-8-4-3-7-14(15)17-16(20)18-10-5-6-13(12-18)9-11-19/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyFTKKKDKEVQUELD-ZDUSSCGKSA-N
MW308.45 g/mol
LogP3.42
Rot. Bonds5

About (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 95326985) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID95326985
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21-15-8-4-3-7-14(15)17-16(20)18-10-5-6-13(12-18)9-11-19/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyFTKKKDKEVQUELD-ZDUSSCGKSA-N
XLogP3.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-ethylsulfanylphenyl)-4-(thian-4-yl)piperazine-1-carboxamide
CID 74241674
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 74246994

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (CID 95326985) is (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is CCSc1ccccc1NC(=O)N1CCC[C@@H](CCO)C1.
What is the InChIKey of (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is FTKKKDKEVQUELD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-21-15-8-4-3-7-14(15)17-16(20)18-10-5-6-13(12-18)9-11-19/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95326985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).