2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

C20H25N3OS — CID 124749391

IUPAC2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESCc1ccccc1SCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H25N3OS/c1-16-6-2-3-9-19(16)25-15-20(24)22-18-8-5-11-23(14-18)13-17-7-4-10-21-12-17/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyAMKDTPUPXMVIRC-SFHVURJKSA-N
MW355.51 g/mol
LogP3.26
Rot. Bonds6

About 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 124749391) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
PubChem CID124749391
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESCc1ccccc1SCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H25N3OS/c1-16-6-2-3-9-19(16)25-15-20(24)22-18-8-5-11-23(14-18)13-17-7-4-10-21-12-17/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyAMKDTPUPXMVIRC-SFHVURJKSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125155616
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173828
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (CID 124749391) is 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is Cc1ccccc1SCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is AMKDTPUPXMVIRC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16-6-2-3-9-19(16)25-15-20(24)22-18-8-5-11-23(14-18)13-17-7-4-10-21-12-17/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 355.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 124749391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).