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

C12H15ClN2OS — CID 63917294

IUPAC2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
SMILESNC(=O)C(N)(CSc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H15ClN2OS/c13-9-3-1-2-4-10(9)17-7-12(15,11(14)16)8-5-6-8/h1-4,8H,5-7,15H2,(H2,14,16)
InChIKeyQNKLAHVMAGQABB-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.02
Rot. Bonds5

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

2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide (PubChem CID 63917294) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
PubChem CID63917294
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
SMILESNC(=O)C(N)(CSc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H15ClN2OS/c13-9-3-1-2-4-10(9)17-7-12(15,11(14)16)8-5-6-8/h1-4,8H,5-7,15H2,(H2,14,16)
InChIKeyQNKLAHVMAGQABB-UHFFFAOYSA-N
XLogP2.02
TPSA69.11 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropan-1-ol
CID 64807826
2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
CID 63917847
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
CID 63917662
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 64814242
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)sulfanylethanol
CID 66153723
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-[(3S)-1-[3-(2-chlorophenyl)sulfanylpropyl]-1-methylpyrrolidin-1-ium-3-yl]-2,2-diphenylacetamide
CID 50914290
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
2-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 63918686

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide (CID 63917294) is 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide is NC(=O)C(N)(CSc1ccccc1Cl)C1CC1.
What is the InChIKey of 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide?
The InChIKey is QNKLAHVMAGQABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-9-3-1-2-4-10(9)17-7-12(15,11(14)16)8-5-6-8/h1-4,8H,5-7,15H2,(H2,14,16).
What are the key properties of 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide?
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide has a molecular weight of 270.78 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide is sourced from PubChem (CID 63917294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).