N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine

C10H14BrNS — CID 102844899

IUPACN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
SMILESCc1sc(CCNC2CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3
InChIKeyJCCIAVDBFNTPFA-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine

N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine (PubChem CID 102844899) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
PubChem CID102844899
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC NameN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
SMILESCc1sc(CCNC2CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3
InChIKeyJCCIAVDBFNTPFA-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine (CID 102844899) is N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine is Cc1sc(CCNC2CC2)cc1Br.
What is the InChIKey of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The InChIKey is JCCIAVDBFNTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine has a molecular weight of 260.20 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 102844899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).