N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine

C14H16ClNOS — CID 43756508

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
SMILESClc1ccc(C(NC2CCCC2)c2ccco2)s1
InChIInChI=1S/C14H16ClNOS/c15-13-8-7-12(18-13)14(11-6-3-9-17-11)16-10-4-1-2-5-10/h3,6-10,14,16H,1-2,4-5H2
InChIKeyKLBXMXUIOUFPAF-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.62
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine (PubChem CID 43756508) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
PubChem CID43756508
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
SMILESClc1ccc(C(NC2CCCC2)c2ccco2)s1
InChIInChI=1S/C14H16ClNOS/c15-13-8-7-12(18-13)14(11-6-3-9-17-11)16-10-4-1-2-5-10/h3,6-10,14,16H,1-2,4-5H2
InChIKeyKLBXMXUIOUFPAF-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine (CID 43756508) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine is Clc1ccc(C(NC2CCCC2)c2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine?
The InChIKey is KLBXMXUIOUFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-13-8-7-12(18-13)14(11-6-3-9-17-11)16-10-4-1-2-5-10/h3,6-10,14,16H,1-2,4-5H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine has a molecular weight of 281.81 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 43756508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).