2-benzylsulfanyl-N-methylpropanamide

C11H15NOS — CID 2889015

IUPAC2-benzylsulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(11(13)12-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyFUJFLTMYPJAEOH-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.05
Rot. Bonds4

About 2-benzylsulfanyl-N-methylpropanamide

2-benzylsulfanyl-N-methylpropanamide (PubChem CID 2889015) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-methylpropanamide
PubChem CID2889015
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-benzylsulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(11(13)12-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyFUJFLTMYPJAEOH-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-methylpropanamide?
The IUPAC name of 2-benzylsulfanyl-N-methylpropanamide (CID 2889015) is 2-benzylsulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-methylpropanamide?
The canonical SMILES for 2-benzylsulfanyl-N-methylpropanamide is CNC(=O)C(C)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-methylpropanamide?
The InChIKey is FUJFLTMYPJAEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(11(13)12-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13).
What are the key properties of 2-benzylsulfanyl-N-methylpropanamide?
2-benzylsulfanyl-N-methylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-methylpropanamide is sourced from PubChem (CID 2889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).