2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide

C12H16N2OS — CID 19317735

IUPAC2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESCC(Sc1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H16N2OS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5,13H2,1H3,(H,14,15)
InChIKeyBASFGXZIFDNDIL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide

2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 19317735) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
PubChem CID19317735
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESCC(Sc1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H16N2OS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5,13H2,1H3,(H,14,15)
InChIKeyBASFGXZIFDNDIL-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.03
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

(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
CID 24590893
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide (CID 19317735) is 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide is CC(Sc1ccc(N)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is BASFGXZIFDNDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide?
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 236.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 19317735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).