2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

C16H24N2OS — CID 95208865

IUPAC2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCc1ccccc1SCC(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C16H24N2OS/c1-13-6-3-4-8-15(13)20-12-16(19)17-10-14-7-5-9-18(2)11-14/h3-4,6,8,14H,5,7,9-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyVQDMTQHJCPQWIN-CQSZACIVSA-N
MW292.45 g/mol
LogP2.55
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 95208865) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID95208865
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCc1ccccc1SCC(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C16H24N2OS/c1-13-6-3-4-8-15(13)20-12-16(19)17-10-14-7-5-9-18(2)11-14/h3-4,6,8,14H,5,7,9-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyVQDMTQHJCPQWIN-CQSZACIVSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (CID 95208865) is 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is Cc1ccccc1SCC(=O)NC[C@H]1CCCN(C)C1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is VQDMTQHJCPQWIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-6-3-4-8-15(13)20-12-16(19)17-10-14-7-5-9-18(2)11-14/h3-4,6,8,14H,5,7,9-12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95208865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).