N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride

C14H21ClN2OS — CID 119442580

IUPACN-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CSc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-16(12-7-9-15-10-8-12)14(17)11-18-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H
InChIKeyPQMPGXOFFALQFQ-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride

N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442580) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442580
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CSc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-16(12-7-9-15-10-8-12)14(17)11-18-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H
InChIKeyPQMPGXOFFALQFQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441556
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281
3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119444658
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
CID 119454684
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119442580) is N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)CSc1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is PQMPGXOFFALQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-16(12-7-9-15-10-8-12)14(17)11-18-13-5-3-2-4-6-13;/h2-6,12,15H,7-11H2,1H3;1H.
What are the key properties of N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).