2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

C16H20ClNS2 — CID 106041995

IUPAC2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyMJMZXMDRWJRRPS-UHFFFAOYSA-N
MW325.93 g/mol
LogP5.53
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 106041995) has the molecular formula C16H20ClNS2 and a molecular weight of 325.93 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID106041995
Molecular FormulaC16H20ClNS2
Molecular Weight325.93 g/mol
Exact Mass325.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyMJMZXMDRWJRRPS-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 106041995) is 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is Clc1ccc(CCNC(c2cccs2)C2CCCC2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is MJMZXMDRWJRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 325.93 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).