N-ethenyl-4-methyl-3-propylthiophen-2-amine

C10H15NS — CID 171788938

IUPACN-ethenyl-4-methyl-3-propylthiophen-2-amine
SMILESC=CNc1scc(C)c1CCC
InChIInChI=1S/C10H15NS/c1-4-6-9-8(3)7-12-10(9)11-5-2/h5,7,11H,2,4,6H2,1,3H3
InChIKeyGRWQEKDLKFBUAP-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.56
Rot. Bonds4

About N-ethenyl-4-methyl-3-propylthiophen-2-amine

N-ethenyl-4-methyl-3-propylthiophen-2-amine (PubChem CID 171788938) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-ethenyl-4-methyl-3-propylthiophen-2-amine.

Molecular Properties

Compound NameN-ethenyl-4-methyl-3-propylthiophen-2-amine
PubChem CID171788938
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-ethenyl-4-methyl-3-propylthiophen-2-amine
SMILESC=CNc1scc(C)c1CCC
InChIInChI=1S/C10H15NS/c1-4-6-9-8(3)7-12-10(9)11-5-2/h5,7,11H,2,4,6H2,1,3H3
InChIKeyGRWQEKDLKFBUAP-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethenyl-4-methyl-3-propylthiophen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methyl-3-propylthiophen-2-amine?
The IUPAC name of N-ethenyl-4-methyl-3-propylthiophen-2-amine (CID 171788938) is N-ethenyl-4-methyl-3-propylthiophen-2-amine.
What is the SMILES notation for N-ethenyl-4-methyl-3-propylthiophen-2-amine?
The canonical SMILES for N-ethenyl-4-methyl-3-propylthiophen-2-amine is C=CNc1scc(C)c1CCC.
What is the InChIKey of N-ethenyl-4-methyl-3-propylthiophen-2-amine?
The InChIKey is GRWQEKDLKFBUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-6-9-8(3)7-12-10(9)11-5-2/h5,7,11H,2,4,6H2,1,3H3.
What are the key properties of N-ethenyl-4-methyl-3-propylthiophen-2-amine?
N-ethenyl-4-methyl-3-propylthiophen-2-amine has a molecular weight of 181.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methyl-3-propylthiophen-2-amine is sourced from PubChem (CID 171788938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).