N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide

C15H21ClN2O2S — CID 111475075

IUPACN-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCC(C)Sc1c(Cl)cccc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21ClN2O2S/c1-10(2)21-14-12(16)6-3-7-13(14)17-15(20)18-8-4-5-11(19)9-18/h3,6-7,10-11,19H,4-5,8-9H2,1-2H3,(H,17,20)
InChIKeyODHIJJJLJWDTFG-UHFFFAOYSA-N
MW328.87 g/mol
LogP3.83
Rot. Bonds3

About N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide

N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 111475075) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID111475075
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC NameN-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCC(C)Sc1c(Cl)cccc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21ClN2O2S/c1-10(2)21-14-12(16)6-3-7-13(14)17-15(20)18-8-4-5-11(19)9-18/h3,6-7,10-11,19H,4-5,8-9H2,1-2H3,(H,17,20)
InChIKeyODHIJJJLJWDTFG-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71991884
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
CID 97257435
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide (CID 111475075) is N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide is CC(C)Sc1c(Cl)cccc1NC(=O)N1CCCC(O)C1.
What is the InChIKey of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is ODHIJJJLJWDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-10(2)21-14-12(16)6-3-7-13(14)17-15(20)18-8-4-5-11(19)9-18/h3,6-7,10-11,19H,4-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 328.87 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111475075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).