3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol

C12H18ClNOS — CID 115359159

IUPAC3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H18ClNOS/c1-12(2,7-15)6-14-9-3-4-10-8(9)5-11(13)16-10/h5,9,14-15H,3-4,6-7H2,1-2H3
InChIKeyCYSGETDTUAXEOD-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.00
Rot. Bonds4

About 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115359159) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115359159
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H18ClNOS/c1-12(2,7-15)6-14-9-3-4-10-8(9)5-11(13)16-10/h5,9,14-15H,3-4,6-7H2,1-2H3
InChIKeyCYSGETDTUAXEOD-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251321
2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251487
2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252705
2-chloro-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 104860342
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104860532
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105644219
2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 113326935
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 113348389
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 113773166
2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114169030
2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 115405857
2-chloro-N-(5,5,5-trifluoropentyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 115517160

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115359159) is 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is CYSGETDTUAXEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-12(2,7-15)6-14-9-3-4-10-8(9)5-11(13)16-10/h5,9,14-15H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 259.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).