(2R)-2-(phenylsulfanylmethyl)butanamide

C11H15NOS — CID 139795160

IUPAC(2R)-2-(phenylsulfanylmethyl)butanamide
SMILESCC[C@@H](CSc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NOS/c1-2-9(11(12)13)8-14-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyPRPHOHBQVKGXGS-VIFPVBQESA-N
MW209.31 g/mol
LogP2.29
Rot. Bonds5

About (2R)-2-(phenylsulfanylmethyl)butanamide

(2R)-2-(phenylsulfanylmethyl)butanamide (PubChem CID 139795160) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2R)-2-(phenylsulfanylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(phenylsulfanylmethyl)butanamide
PubChem CID139795160
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2R)-2-(phenylsulfanylmethyl)butanamide
SMILESCC[C@@H](CSc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NOS/c1-2-9(11(12)13)8-14-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)/t9-/m0/s1
InChIKeyPRPHOHBQVKGXGS-VIFPVBQESA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexanamide, N-hydroxy-6-(phenylthio)-
CID 11637291
2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
2-(Phenylsulfinyl)acetamide
CID 12335699
4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
CID 326887
3-(Benzenesulfonyl)propanamide
CID 853565
2-Cyano-2-phenylsulfanylacetamide
CID 361852
Cyclopentanecarboxamide, 1-(phenylthio)-
CID 3063640
N-methyl-2-(phenylsulfanyl)acetamide
CID 965608
2-Fluoro-2-phenylsulfanylacetamide
CID 100930695
2-(Phenylthio)acetamide
CID 352162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylsulfanylmethyl)butanamide?
The IUPAC name of (2R)-2-(phenylsulfanylmethyl)butanamide (CID 139795160) is (2R)-2-(phenylsulfanylmethyl)butanamide.
What is the SMILES notation for (2R)-2-(phenylsulfanylmethyl)butanamide?
The canonical SMILES for (2R)-2-(phenylsulfanylmethyl)butanamide is CC[C@@H](CSc1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-(phenylsulfanylmethyl)butanamide?
The InChIKey is PRPHOHBQVKGXGS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-9(11(12)13)8-14-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-(phenylsulfanylmethyl)butanamide?
(2R)-2-(phenylsulfanylmethyl)butanamide has a molecular weight of 209.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylsulfanylmethyl)butanamide is sourced from PubChem (CID 139795160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).