[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine

C8H10ClNS — CID 131187292

IUPAC[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine
SMILESNCC1CC1c1ccsc1Cl
InChIInChI=1S/C8H10ClNS/c9-8-6(1-2-11-8)7-3-5(7)4-10/h1-2,5,7H,3-4,10H2
InChIKeyXPOLBJBTCYAIOQ-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.46
Rot. Bonds2

About [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine

[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine (PubChem CID 131187292) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine
PubChem CID131187292
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine
SMILESNCC1CC1c1ccsc1Cl
InChIInChI=1S/C8H10ClNS/c9-8-6(1-2-11-8)7-3-5(7)4-10/h1-2,5,7H,3-4,10H2
InChIKeyXPOLBJBTCYAIOQ-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine?
The IUPAC name of [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine (CID 131187292) is [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine is NCC1CC1c1ccsc1Cl.
What is the InChIKey of [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine?
The InChIKey is XPOLBJBTCYAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-8-6(1-2-11-8)7-3-5(7)4-10/h1-2,5,7H,3-4,10H2.
What are the key properties of [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine?
[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine has a molecular weight of 187.69 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 131187292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).