2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol

C10H15NOS — CID 143997196

IUPAC2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
SMILESCNc1cc2c(s1)C(O)CCCC2
InChIInChI=1S/C10H15NOS/c1-11-9-6-7-4-2-3-5-8(12)10(7)13-9/h6,8,11-12H,2-5H2,1H3
InChIKeyFREKRIDCKRSVAI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.55
Rot. Bonds1

About 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol

2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol (PubChem CID 143997196) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol.

Molecular Properties

Compound Name2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
PubChem CID143997196
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol
SMILESCNc1cc2c(s1)C(O)CCCC2
InChIInChI=1S/C10H15NOS/c1-11-9-6-7-4-2-3-5-8(12)10(7)13-9/h6,8,11-12H,2-5H2,1H3
InChIKeyFREKRIDCKRSVAI-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The IUPAC name of 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol (CID 143997196) is 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol.
What is the SMILES notation for 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The canonical SMILES for 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol is CNc1cc2c(s1)C(O)CCCC2.
What is the InChIKey of 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
The InChIKey is FREKRIDCKRSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-9-6-7-4-2-3-5-8(12)10(7)13-9/h6,8,11-12H,2-5H2,1H3.
What are the key properties of 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol?
2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol has a molecular weight of 197.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-8-ol is sourced from PubChem (CID 143997196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).