(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 122559595
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174792
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide
CID 77081515
3-iodo-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 86710892
N-methyl-1-[1-[(2-methylphenyl)methyl]cyclopropyl]ethanamine
CID 106797530
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
4-methyl-3-[(2-methylphenyl)methyl]-1,1-bis(methylsulfanyl)pentan-3-ol
CID 11022914
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899

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).