N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine

C10H14ClNS — CID 62528423

IUPACN-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
SMILESClc1ccc(CCCNC2CC2)s1
InChIInChI=1S/C10H14ClNS/c11-10-6-5-9(13-10)2-1-7-12-8-3-4-8/h5-6,8,12H,1-4,7H2
InChIKeyMZBOGDQBZSGVEU-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.09
Rot. Bonds5

About N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine

N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine (PubChem CID 62528423) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
PubChem CID62528423
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
SMILESClc1ccc(CCCNC2CC2)s1
InChIInChI=1S/C10H14ClNS/c11-10-6-5-9(13-10)2-1-7-12-8-3-4-8/h5-6,8,12H,1-4,7H2
InChIKeyMZBOGDQBZSGVEU-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine (CID 62528423) is N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine is Clc1ccc(CCCNC2CC2)s1.
What is the InChIKey of N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine?
The InChIKey is MZBOGDQBZSGVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-10-6-5-9(13-10)2-1-7-12-8-3-4-8/h5-6,8,12H,1-4,7H2.
What are the key properties of N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine?
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine has a molecular weight of 215.75 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62528423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).