2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C13H17NO2S — CID 2228852

IUPAC2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17NO2S/c1-17-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-16-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYTTOSHLCIDWRNS-JTQLQIEISA-N
MW251.35 g/mol
LogP2.32
Rot. Bonds4

About 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 2228852) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID2228852
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17NO2S/c1-17-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-16-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYTTOSHLCIDWRNS-JTQLQIEISA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2218436
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
8-methylsulfanyl-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 90112695
2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41066122
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 2228852) is 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CSc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YTTOSHLCIDWRNS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO2S/c1-17-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-16-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 251.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2228852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).