[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine

C11H16ClNS — CID 81010342

IUPAC[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c12-11-5-4-10(14-11)6-8-2-1-3-9(8)7-13/h4-5,8-9H,1-3,6-7,13H2
InChIKeyBGBRKLHKIKMWGJ-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.32
Rot. Bonds3

About [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine

[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine (PubChem CID 81010342) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
PubChem CID81010342
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c12-11-5-4-10(14-11)6-8-2-1-3-9(8)7-13/h4-5,8-9H,1-3,6-7,13H2
InChIKeyBGBRKLHKIKMWGJ-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine (CID 81010342) is [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine is NCC1CCCC1Cc1ccc(Cl)s1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine?
The InChIKey is BGBRKLHKIKMWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c12-11-5-4-10(14-11)6-8-2-1-3-9(8)7-13/h4-5,8-9H,1-3,6-7,13H2.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine?
[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine has a molecular weight of 229.78 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 81010342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).