N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide

C12H16N2OS — CID 62666890

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C(N)=S)c1
InChIInChI=1S/C12H16N2OS/c1-8-4-3-5-10(6-8)12(15)14-7-9(2)11(13)16/h3-6,9H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRCGURYFRWOPQSB-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.65
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide (PubChem CID 62666890) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
PubChem CID62666890
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C(N)=S)c1
InChIInChI=1S/C12H16N2OS/c1-8-4-3-5-10(6-8)12(15)14-7-9(2)11(13)16/h3-6,9H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRCGURYFRWOPQSB-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide 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-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-methylbenzamide
CID 106861296
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide (CID 62666890) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)C(N)=S)c1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide?
The InChIKey is RCGURYFRWOPQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-4-3-5-10(6-8)12(15)14-7-9(2)11(13)16/h3-6,9H,7H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide has a molecular weight of 236.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide is sourced from PubChem (CID 62666890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).