N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide

C11H16N2OS — CID 104873008

IUPACN-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](C)CN
InChIInChI=1S/C11H16N2OS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyGAJWVLHEYGKRFF-MRVPVSSYSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide

N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide (PubChem CID 104873008) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
PubChem CID104873008
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](C)CN
InChIInChI=1S/C11H16N2OS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyGAJWVLHEYGKRFF-MRVPVSSYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide 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-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide (CID 104873008) is N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide?
The InChIKey is GAJWVLHEYGKRFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide?
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide has a molecular weight of 224.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 104873008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).