3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine

C8H10ClNS — CID 79427240

IUPAC3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc(Cl)cs1)CN
InChIInChI=1S/C8H10ClNS/c1-6(4-10)2-8-3-7(9)5-11-8/h2-3,5H,4,10H2,1H3
InChIKeyQOHQSDGVBRNDDY-UHFFFAOYSA-N
MW187.70 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine

3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 79427240) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
PubChem CID79427240
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc(Cl)cs1)CN
InChIInChI=1S/C8H10ClNS/c1-6(4-10)2-8-3-7(9)5-11-8/h2-3,5H,4,10H2,1H3
InChIKeyQOHQSDGVBRNDDY-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine (CID 79427240) is 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine is CC(=Cc1cc(Cl)cs1)CN.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is QOHQSDGVBRNDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-6(4-10)2-8-3-7(9)5-11-8/h2-3,5H,4,10H2,1H3.
What are the key properties of 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 187.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79427240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).