(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide

C11H15NOS — CID 72947099

IUPAC(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide
SMILESC[C@@H](CS)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOOFLQSFFPITNLC-VIFPVBQESA-N
MW209.31 g/mol
LogP1.87
Rot. Bonds4

About (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide

(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide (PubChem CID 72947099) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide
PubChem CID72947099
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide
SMILESC[C@@H](CS)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOOFLQSFFPITNLC-VIFPVBQESA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide (CID 72947099) is (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide is C[C@@H](CS)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide?
The InChIKey is OOFLQSFFPITNLC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide?
(2R)-N-benzyl-2-methyl-3-sulfanylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 72947099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).