2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide

C15H21NO2S — CID 52907093

IUPAC2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide
SMILESC[C@](O)(CNC(=O)CSCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-7-8-13)11-16-14(17)10-19-9-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyUMIOOWYIEIIFAQ-HNNXBMFYSA-N
MW279.40 g/mol
LogP2.20
Rot. Bonds7

About 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide

2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide (PubChem CID 52907093) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide
PubChem CID52907093
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide
SMILESC[C@](O)(CNC(=O)CSCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-15(18,13-7-8-13)11-16-14(17)10-19-9-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyUMIOOWYIEIIFAQ-HNNXBMFYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)propanamide
CID 76147803
2-(benzylthio)-N-((1-(hydroxymethyl)cyclopropyl)methyl)acetamide
CID 49739141
N-(2-cyclopropyl-2-hydroxypropyl)-3-(phenylthio)propanamide
CID 52992759
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-4-phenylbutanamide
CID 71787180
2-(benzylthio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787190
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-phenylpropanamide
CID 71787275
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-2-phenylbutanamide
CID 71787285
N1-(2-hydroxy-2-methyl-4-(methylthio)butyl)-N2-phenethyloxalamide
CID 71787376
2-(benzylthio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
2-(cyclopentylthio)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-phenylprop-2-enamide
CID 71960786
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-phenylprop-2-enamide
CID 71960789

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide (CID 52907093) is 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide is C[C@](O)(CNC(=O)CSCc1ccccc1)C1CC1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide?
The InChIKey is UMIOOWYIEIIFAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18,13-7-8-13)11-16-14(17)10-19-9-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide?
2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]acetamide is sourced from PubChem (CID 52907093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).