3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide

C12H15ClN2OS — CID 55098398

IUPAC3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESNc1cc(Cl)ccc1SCCC(=O)NC1CC1
InChIInChI=1S/C12H15ClN2OS/c13-8-1-4-11(10(14)7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16)
InChIKeyMRYLBBIDMJGLKV-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide

3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 55098398) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
PubChem CID55098398
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESNc1cc(Cl)ccc1SCCC(=O)NC1CC1
InChIInChI=1S/C12H15ClN2OS/c13-8-1-4-11(10(14)7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16)
InChIKeyMRYLBBIDMJGLKV-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
3-(2-amino-4-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43250818
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919
3-(4-amino-2-bromophenyl)sulfanyl-N-cyclopropylpropanamide
CID 82841438
ethyl 3-(2-amino-4-chlorophenyl)sulfanylpropanoate
CID 61319245
N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 62627578
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide (CID 55098398) is 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide is Nc1cc(Cl)ccc1SCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is MRYLBBIDMJGLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-8-1-4-11(10(14)7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16).
What are the key properties of 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 270.78 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 55098398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).