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

C12H16ClNS — CID 79590346

IUPACN-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
SMILESClc1ccc(CC=CCCNC2CC2)s1
InChIInChI=1S/C12H16ClNS/c13-12-8-7-11(15-12)4-2-1-3-9-14-10-5-6-10/h1-2,7-8,10,14H,3-6,9H2
InChIKeyNUUWIYAHPOAUIT-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.64
Rot. Bonds6

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

N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine (PubChem CID 79590346) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
PubChem CID79590346
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC NameN-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
SMILESClc1ccc(CC=CCCNC2CC2)s1
InChIInChI=1S/C12H16ClNS/c13-12-8-7-11(15-12)4-2-1-3-9-14-10-5-6-10/h1-2,7-8,10,14H,3-6,9H2
InChIKeyNUUWIYAHPOAUIT-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine (CID 79590346) is N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine is Clc1ccc(CC=CCCNC2CC2)s1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is NUUWIYAHPOAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-12-8-7-11(15-12)4-2-1-3-9-14-10-5-6-10/h1-2,7-8,10,14H,3-6,9H2.
What are the key properties of N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine?
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 241.79 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79590346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).