2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C14H21ClN2S — CID 81252699

IUPAC2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NCCN1CCCCC1
InChIInChI=1S/C14H21ClN2S/c15-14-10-11-12(4-5-13(11)18-14)16-6-9-17-7-2-1-3-8-17/h10,12,16H,1-9H2
InChIKeyQOPJSLPYKNRXKS-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252699) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252699
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NCCN1CCCCC1
InChIInChI=1S/C14H21ClN2S/c15-14-10-11-12(4-5-13(11)18-14)16-6-9-17-7-2-1-3-8-17/h10,12,16H,1-9H2
InChIKeyQOPJSLPYKNRXKS-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251743
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251498
2-chloro-N-(5-methylhexyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 113287334
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252077
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 106840669
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-methylpropanamide
CID 81252804
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114536382
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252369
2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252766
2-chloro-N-(thian-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252717
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252699) is 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2NCCN1CCCCC1.
What is the InChIKey of 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is QOPJSLPYKNRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c15-14-10-11-12(4-5-13(11)18-14)16-6-9-17-7-2-1-3-8-17/h10,12,16H,1-9H2.
What are the key properties of 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 284.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).