1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine

C8H10ClNS — CID 105000642

IUPAC1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1sccc1Cl
InChIInChI=1S/C8H10ClNS/c1-3-7(10-2)8-6(9)4-5-11-8/h3-5,7,10H,1H2,2H3
InChIKeyMRYGAJYRCWIUPX-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine

1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine (PubChem CID 105000642) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
PubChem CID105000642
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1sccc1Cl
InChIInChI=1S/C8H10ClNS/c1-3-7(10-2)8-6(9)4-5-11-8/h3-5,7,10H,1H2,2H3
InChIKeyMRYGAJYRCWIUPX-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004446
1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000773
1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
CID 103406500
(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
CID 107359970
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine (CID 105000642) is 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine is C=CC(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine?
The InChIKey is MRYGAJYRCWIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-3-7(10-2)8-6(9)4-5-11-8/h3-5,7,10H,1H2,2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine?
1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine has a molecular weight of 187.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 105000642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).