3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide

C13H18N2OS — CID 60842098

IUPAC3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-4-11(5-7-12)15-13(16)8-9-14-10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyOUKRTGSHUHGURY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.49
Rot. Bonds6

About 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide

3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 60842098) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID60842098
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-4-11(5-7-12)15-13(16)8-9-14-10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyOUKRTGSHUHGURY-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
(E)-3-[4-[3-(cyclopropylamino)propanoylamino]phenyl]prop-2-enoic acid
CID 115342324
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide (CID 60842098) is 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCNC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is OUKRTGSHUHGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-12-6-4-11(5-7-12)15-13(16)8-9-14-10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide?
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 250.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 60842098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).