3-benzylsulfanyl-2-methylbutanamide

C12H17NOS — CID 15091652

IUPAC3-benzylsulfanyl-2-methylbutanamide
SMILESCC(SCc1ccccc1)C(C)C(N)=O
InChIInChI=1S/C12H17NOS/c1-9(12(13)14)10(2)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14)
InChIKeyCQVXOBZUOLVAFO-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.43
Rot. Bonds5

About 3-benzylsulfanyl-2-methylbutanamide

3-benzylsulfanyl-2-methylbutanamide (PubChem CID 15091652) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-benzylsulfanyl-2-methylbutanamide.

Molecular Properties

Compound Name3-benzylsulfanyl-2-methylbutanamide
PubChem CID15091652
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-benzylsulfanyl-2-methylbutanamide
SMILESCC(SCc1ccccc1)C(C)C(N)=O
InChIInChI=1S/C12H17NOS/c1-9(12(13)14)10(2)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14)
InChIKeyCQVXOBZUOLVAFO-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(benzylthio)-
CID 95209
Acetamide, 2-(p-tolylthio)-
CID 51918
Deoxy modafinil
CID 9965017
3-Methyl-4-phenyl-3-butenamide
CID 23660
4-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162646033
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162650091
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]hexanamide
CID 162650825
2-[(4-Tert-butylphenyl)methylsulfanyl]-3-methylbutanamide
CID 162659113
2-[(4-Bromophenyl)methylsulfanyl]-3-methylbutanamide
CID 162671635
2-Cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 162671733
2-Cyclopentyl-2-[(3,5-difluorophenyl)methylsulfanyl]acetamide
CID 162674225

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-2-methylbutanamide?
The IUPAC name of 3-benzylsulfanyl-2-methylbutanamide (CID 15091652) is 3-benzylsulfanyl-2-methylbutanamide.
What is the SMILES notation for 3-benzylsulfanyl-2-methylbutanamide?
The canonical SMILES for 3-benzylsulfanyl-2-methylbutanamide is CC(SCc1ccccc1)C(C)C(N)=O.
What is the InChIKey of 3-benzylsulfanyl-2-methylbutanamide?
The InChIKey is CQVXOBZUOLVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(12(13)14)10(2)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14).
What are the key properties of 3-benzylsulfanyl-2-methylbutanamide?
3-benzylsulfanyl-2-methylbutanamide has a molecular weight of 223.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-2-methylbutanamide is sourced from PubChem (CID 15091652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).