2H-cyclopenta[f][1]benzothiole-2,6-diamine

C11H10N2S — CID 87929117

IUPAC2H-cyclopenta[f][1]benzothiole-2,6-diamine
SMILESNC1=Cc2cc3c(cc2=C1)SC(N)C=3
InChIInChI=1S/C11H10N2S/c12-9-2-6-1-8-5-11(13)14-10(8)4-7(6)3-9/h1-5,11H,12-13H2
InChIKeyYTQLLGWNCHDYBZ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.05
Rot. Bonds

About 2H-cyclopenta[f][1]benzothiole-2,6-diamine

2H-cyclopenta[f][1]benzothiole-2,6-diamine (PubChem CID 87929117) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2H-cyclopenta[f][1]benzothiole-2,6-diamine.

Molecular Properties

Compound Name2H-cyclopenta[f][1]benzothiole-2,6-diamine
PubChem CID87929117
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2H-cyclopenta[f][1]benzothiole-2,6-diamine
SMILESNC1=Cc2cc3c(cc2=C1)SC(N)C=3
InChIInChI=1S/C11H10N2S/c12-9-2-6-1-8-5-11(13)14-10(8)4-7(6)3-9/h1-5,11H,12-13H2
InChIKeyYTQLLGWNCHDYBZ-UHFFFAOYSA-N
XLogP-0.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[f][1]benzothiole-2,6-diamine?
The IUPAC name of 2H-cyclopenta[f][1]benzothiole-2,6-diamine (CID 87929117) is 2H-cyclopenta[f][1]benzothiole-2,6-diamine.
What is the SMILES notation for 2H-cyclopenta[f][1]benzothiole-2,6-diamine?
The canonical SMILES for 2H-cyclopenta[f][1]benzothiole-2,6-diamine is NC1=Cc2cc3c(cc2=C1)SC(N)C=3.
What is the InChIKey of 2H-cyclopenta[f][1]benzothiole-2,6-diamine?
The InChIKey is YTQLLGWNCHDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-9-2-6-1-8-5-11(13)14-10(8)4-7(6)3-9/h1-5,11H,12-13H2.
What are the key properties of 2H-cyclopenta[f][1]benzothiole-2,6-diamine?
2H-cyclopenta[f][1]benzothiole-2,6-diamine has a molecular weight of 202.28 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[f][1]benzothiole-2,6-diamine is sourced from PubChem (CID 87929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).