(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

C9H13NOS — CID 96746862

IUPAC(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESN[C@@H](CO)c1cc2c(s1)CCC2
InChIInChI=1S/C9H13NOS/c10-7(5-11)9-4-6-2-1-3-8(6)12-9/h4,7,11H,1-3,5,10H2/t7-/m0/s1
InChIKeyVKLJFEHMXAWUMD-ZETCQYMHSA-N
MW183.28 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (PubChem CID 96746862) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
PubChem CID96746862
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESN[C@@H](CO)c1cc2c(s1)CCC2
InChIInChI=1S/C9H13NOS/c10-7(5-11)9-4-6-2-1-3-8(6)12-9/h4,7,11H,1-3,5,10H2/t7-/m0/s1
InChIKeyVKLJFEHMXAWUMD-ZETCQYMHSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 84803360
2-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanol
CID 84775410
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (CID 96746862) is (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is N[C@@H](CO)c1cc2c(s1)CCC2.
What is the InChIKey of (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The InChIKey is VKLJFEHMXAWUMD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NOS/c10-7(5-11)9-4-6-2-1-3-8(6)12-9/h4,7,11H,1-3,5,10H2/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol has a molecular weight of 183.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 96746862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).