N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine

C8H10ClNS — CID 79420637

IUPACN-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(Cl)cs1
InChIInChI=1S/C8H10ClNS/c1-2-3-10-5-8-4-7(9)6-11-8/h2,4,6,10H,1,3,5H2
InChIKeyAIKUHHYVKHUBFB-UHFFFAOYSA-N
MW187.70 g/mol
LogP2.68
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine

N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine (PubChem CID 79420637) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
PubChem CID79420637
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(Cl)cs1
InChIInChI=1S/C8H10ClNS/c1-2-3-10-5-8-4-7(9)6-11-8/h2,4,6,10H,1,3,5H2
InChIKeyAIKUHHYVKHUBFB-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine 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-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
N-[(4-chlorothiophen-2-yl)methyl]but-3-yn-1-amine
CID 79427929
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026
N-[(4-chlorothiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 79419390
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 79420434
2-[(4-chlorothiophen-2-yl)methyl]-1,1-dimethylhydrazine
CID 83006847
N-[(4-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 107165869
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478
4-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127324
1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79420261
1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 79420178
2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine (CID 79420637) is N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine is C=CCNCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is AIKUHHYVKHUBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-2-3-10-5-8-4-7(9)6-11-8/h2,4,6,10H,1,3,5H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 187.70 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 79420637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).