N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide

C13H15NO2S — CID 66354915

IUPACN-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C13H15NO2S/c1-14(11-5-6-11)13(16)9-17-12-4-2-3-10(7-12)8-15/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyIJMWOYMPISEFBG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.21
Rot. Bonds5

About N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide

N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide (PubChem CID 66354915) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
PubChem CID66354915
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C13H15NO2S/c1-14(11-5-6-11)13(16)9-17-12-4-2-3-10(7-12)8-15/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyIJMWOYMPISEFBG-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide
CID 66355572
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
4-(3-formylphenyl)sulfanyl-N,N-dimethylbutanamide
CID 66355142
2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66356193
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-methylphenyl)sulfanylacetamide
CID 94214701
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79128124
2-(3-formylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66354498
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 79140728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide (CID 66354915) is N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide is CN(C(=O)CSc1cccc(C=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The InChIKey is IJMWOYMPISEFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-14(11-5-6-11)13(16)9-17-12-4-2-3-10(7-12)8-15/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide?
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide has a molecular weight of 249.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 66354915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).