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

C14H20ClNS — CID 81251862

IUPAC2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCC(CC1CC1)NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H20ClNS/c1-2-10(7-9-3-4-9)16-12-5-6-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3
InChIKeyYPIJZRCBYWVXFJ-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.56
Rot. Bonds5

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

2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251862) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251862
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCC(CC1CC1)NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H20ClNS/c1-2-10(7-9-3-4-9)16-12-5-6-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3
InChIKeyYPIJZRCBYWVXFJ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4H,5H,6H-cyclopenta(b)thiophen-4-amine
CID 81252876
2-chloro-4H,5H,6H-cyclopenta[b]thiophen-4-amine hydrochloride
CID 165653259
1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 43783010
1-(3-chloro-4-fluorophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61206834
1-(2-chloro-4-fluorophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61207034
2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527379
2-chloro-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 75497186
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81233707
2-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81233740
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234125
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246123
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251862) is 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CCC(CC1CC1)NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is YPIJZRCBYWVXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-2-10(7-9-3-4-9)16-12-5-6-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3.
What are the key properties of 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 269.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).