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

C11H14N2OS — CID 62668191

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2OS/c1-8(10(12)15)7-13-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyFGUSZLUIPDHTSM-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.34
Rot. Bonds4

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

N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide (PubChem CID 62668191) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
PubChem CID62668191
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2OS/c1-8(10(12)15)7-13-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyFGUSZLUIPDHTSM-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-butoxybenzamide
CID 62668016
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-benzamido-3-methylbutanoic acid
CID 81064617
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-3-methylbenzamide
CID 114023824
(3-amino-2-methyl-3-sulfanylidenepropyl)urea
CID 62666520
3-anilino-2-methylpropanethioamide
CID 82075999
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide (CID 62668191) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide is CC(CNC(=O)c1ccccc1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide?
The InChIKey is FGUSZLUIPDHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(10(12)15)7-13-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide has a molecular weight of 222.31 g/mol, XLogP of 1.34, 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)benzamide is sourced from PubChem (CID 62668191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).