2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C10H12ClNS — CID 81252766

IUPAC2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NC1CC1
InChIInChI=1S/C10H12ClNS/c11-10-5-7-8(12-6-1-2-6)3-4-9(7)13-10/h5-6,8,12H,1-4H2
InChIKeyOOYAZVQPEWYZEF-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.14
Rot. Bonds2

About 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252766) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252766
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NC1CC1
InChIInChI=1S/C10H12ClNS/c11-10-5-7-8(12-6-1-2-6)3-4-9(7)13-10/h5-6,8,12H,1-4H2
InChIKeyOOYAZVQPEWYZEF-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252766) is 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is OOYAZVQPEWYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-10-5-7-8(12-6-1-2-6)3-4-9(7)13-10/h5-6,8,12H,1-4H2.
What are the key properties of 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 213.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).