(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide

C15H21NOS — CID 125438025

IUPAC(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)NC1(Cc2ccccc2C)CC1
InChIInChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyQBUJBOGURUQIIV-LBPRGKRZSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds5

About (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide

(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide (PubChem CID 125438025) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
PubChem CID125438025
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)NC1(Cc2ccccc2C)CC1
InChIInChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyQBUJBOGURUQIIV-LBPRGKRZSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide (CID 125438025) is (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide is CS[C@@H](C)C(=O)NC1(Cc2ccccc2C)CC1.
What is the InChIKey of (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The InChIKey is QBUJBOGURUQIIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 125438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).