N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C14H19ClN2O2S — CID 71991884

IUPACN-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCSc1c(Cl)cccc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-20-13-11(15)3-2-4-12(13)16-14(19)17-7-5-10(9-18)6-8-17/h2-4,10,18H,5-9H2,1H3,(H,16,19)
InChIKeyLHOQPYMCEKGEOA-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.30
Rot. Bonds3

About N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71991884) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71991884
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCSc1c(Cl)cccc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-20-13-11(15)3-2-4-12(13)16-14(19)17-7-5-10(9-18)6-8-17/h2-4,10,18H,5-9H2,1H3,(H,16,19)
InChIKeyLHOQPYMCEKGEOA-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80552313
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N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
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4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
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N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
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N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
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N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
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N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
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N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 71991884) is N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is CSc1c(Cl)cccc1NC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is LHOQPYMCEKGEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-20-13-11(15)3-2-4-12(13)16-14(19)17-7-5-10(9-18)6-8-17/h2-4,10,18H,5-9H2,1H3,(H,16,19).
What are the key properties of N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 314.84 g/mol, XLogP of 3.30, 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-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71991884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).