N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine

C10H12ClNS — CID 79426579

IUPACN-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESClc1csc(C=CCNC2CC2)c1
InChIInChI=1S/C10H12ClNS/c11-8-6-10(13-7-8)2-1-5-12-9-3-4-9/h1-2,6-7,9,12H,3-5H2
InChIKeyNUZMBABVBHIIMN-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.17
Rot. Bonds4

About N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine

N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 79426579) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID79426579
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC NameN-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESClc1csc(C=CCNC2CC2)c1
InChIInChI=1S/C10H12ClNS/c11-8-6-10(13-7-8)2-1-5-12-9-3-4-9/h1-2,6-7,9,12H,3-5H2
InChIKeyNUZMBABVBHIIMN-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine (CID 79426579) is N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine is Clc1csc(C=CCNC2CC2)c1.
What is the InChIKey of N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is NUZMBABVBHIIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-8-6-10(13-7-8)2-1-5-12-9-3-4-9/h1-2,6-7,9,12H,3-5H2.
What are the key properties of N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine?
N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 213.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79426579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).