4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol

C10H15NOS — CID 112715529

IUPAC4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCC1Cc2sccc2C1(O)CCN
InChIInChI=1S/C10H15NOS/c1-7-6-9-8(2-5-13-9)10(7,12)3-4-11/h2,5,7,12H,3-4,6,11H2,1H3
InChIKeyOCGJKOOCAQFENO-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.48
Rot. Bonds2

About 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol

4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol (PubChem CID 112715529) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
PubChem CID112715529
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCC1Cc2sccc2C1(O)CCN
InChIInChI=1S/C10H15NOS/c1-7-6-9-8(2-5-13-9)10(7,12)3-4-11/h2,5,7,12H,3-4,6,11H2,1H3
InChIKeyOCGJKOOCAQFENO-UHFFFAOYSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
CID 101487840
(4S,6S)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
CID 135017116
2,4,5-Trimethyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 21881023
5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol
CID 58951214
4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-ol
CID 89358901
4-Amino-2-(4-methylthiophen-2-yl)butan-2-ol
CID 123975252
4-(Aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 55269075
3-amino-1-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}propan-1-ol
CID 65184957
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylbutan-1-ol
CID 65185489
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol
CID 65188195
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)butan-1-ol
CID 65188223
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpropan-1-ol
CID 65190411

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol (CID 112715529) is 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol is CC1Cc2sccc2C1(O)CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The InChIKey is OCGJKOOCAQFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-6-9-8(2-5-13-9)10(7,12)3-4-11/h2,5,7,12H,3-4,6,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol?
4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol has a molecular weight of 197.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 112715529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).