4-propan-2-ylthieno[3,2-b]indol-3-amine

C13H14N2S — CID 147058333

IUPAC4-propan-2-ylthieno[3,2-b]indol-3-amine
SMILESCC(C)n1c2ccccc2c2scc(N)c21
InChIInChI=1S/C13H14N2S/c1-8(2)15-11-6-4-3-5-9(11)13-12(15)10(14)7-16-13/h3-8H,14H2,1-2H3
InChIKeyBCRLWFLSQJSBHE-UHFFFAOYSA-N
MW230.34 g/mol
LogP4.02
Rot. Bonds1

About 4-propan-2-ylthieno[3,2-b]indol-3-amine

4-propan-2-ylthieno[3,2-b]indol-3-amine (PubChem CID 147058333) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-propan-2-ylthieno[3,2-b]indol-3-amine.

Molecular Properties

Compound Name4-propan-2-ylthieno[3,2-b]indol-3-amine
PubChem CID147058333
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-propan-2-ylthieno[3,2-b]indol-3-amine
SMILESCC(C)n1c2ccccc2c2scc(N)c21
InChIInChI=1S/C13H14N2S/c1-8(2)15-11-6-4-3-5-9(11)13-12(15)10(14)7-16-13/h3-8H,14H2,1-2H3
InChIKeyBCRLWFLSQJSBHE-UHFFFAOYSA-N
XLogP4.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylthieno[3,2-b]indol-3-amine?
The IUPAC name of 4-propan-2-ylthieno[3,2-b]indol-3-amine (CID 147058333) is 4-propan-2-ylthieno[3,2-b]indol-3-amine.
What is the SMILES notation for 4-propan-2-ylthieno[3,2-b]indol-3-amine?
The canonical SMILES for 4-propan-2-ylthieno[3,2-b]indol-3-amine is CC(C)n1c2ccccc2c2scc(N)c21.
What is the InChIKey of 4-propan-2-ylthieno[3,2-b]indol-3-amine?
The InChIKey is BCRLWFLSQJSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8(2)15-11-6-4-3-5-9(11)13-12(15)10(14)7-16-13/h3-8H,14H2,1-2H3.
What are the key properties of 4-propan-2-ylthieno[3,2-b]indol-3-amine?
4-propan-2-ylthieno[3,2-b]indol-3-amine has a molecular weight of 230.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthieno[3,2-b]indol-3-amine is sourced from PubChem (CID 147058333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).