N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide

C12H15NOS — CID 107035039

IUPACN-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
SMILESCC1CC1CNC(=O)c1ccccc1S
InChIInChI=1S/C12H15NOS/c1-8-6-9(8)7-13-12(14)10-4-2-3-5-11(10)15/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)
InChIKeyTYRNLMLYZGNKRA-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.36
Rot. Bonds3

About N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide

N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide (PubChem CID 107035039) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
PubChem CID107035039
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
SMILESCC1CC1CNC(=O)c1ccccc1S
InChIInChI=1S/C12H15NOS/c1-8-6-9(8)7-13-12(14)10-4-2-3-5-11(10)15/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)
InChIKeyTYRNLMLYZGNKRA-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115597703
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide
CID 67073784
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
CID 86278018
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide (CID 107035039) is N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide is CC1CC1CNC(=O)c1ccccc1S.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide?
The InChIKey is TYRNLMLYZGNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-6-9(8)7-13-12(14)10-4-2-3-5-11(10)15/h2-5,8-9,15H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide?
N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide has a molecular weight of 221.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide is sourced from PubChem (CID 107035039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).