(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol

C11H17NOS — CID 112716563

IUPAC(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol
SMILESCCc1cc2c(s1)CC(C)C2(N)CO
InChIInChI=1S/C11H17NOS/c1-3-8-5-9-10(14-8)4-7(2)11(9,12)6-13/h5,7,13H,3-4,6,12H2,1-2H3
InChIKeyIRSNGYLNWZQRGN-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.65
Rot. Bonds2

About (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol

(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol (PubChem CID 112716563) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol
PubChem CID112716563
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol
SMILESCCc1cc2c(s1)CC(C)C2(N)CO
InChIInChI=1S/C11H17NOS/c1-3-8-5-9-10(14-8)4-7(2)11(9,12)6-13/h5,7,13H,3-4,6,12H2,1-2H3
InChIKeyIRSNGYLNWZQRGN-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol?
The IUPAC name of (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol (CID 112716563) is (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol.
What is the SMILES notation for (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol?
The canonical SMILES for (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol is CCc1cc2c(s1)CC(C)C2(N)CO.
What is the InChIKey of (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol?
The InChIKey is IRSNGYLNWZQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-8-5-9-10(14-8)4-7(2)11(9,12)6-13/h5,7,13H,3-4,6,12H2,1-2H3.
What are the key properties of (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol?
(4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol has a molecular weight of 211.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-ethyl-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-yl)methanol is sourced from PubChem (CID 112716563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).