5-propan-2-yl-1-benzothiophen-7-amine

C11H13NS — CID 138632945

IUPAC5-propan-2-yl-1-benzothiophen-7-amine
SMILESCC(C)c1cc(N)c2sccc2c1
InChIInChI=1S/C11H13NS/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3
InChIKeyDFNPHNOSKOQGQX-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.61
Rot. Bonds1

About 5-propan-2-yl-1-benzothiophen-7-amine

5-propan-2-yl-1-benzothiophen-7-amine (PubChem CID 138632945) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 5-propan-2-yl-1-benzothiophen-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-benzothiophen-7-amine
PubChem CID138632945
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name5-propan-2-yl-1-benzothiophen-7-amine
SMILESCC(C)c1cc(N)c2sccc2c1
InChIInChI=1S/C11H13NS/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3
InChIKeyDFNPHNOSKOQGQX-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
5-propan-2-yl-1-benzofuran-7-amine
CID 146232668
5,7-di(propan-2-yl)thieno[2,3-c]pyridine
CID 166928796
5-propan-2-yl-1H-indol-7-amine
CID 130368209
6,7-diamino-1-benzothiophene-5-thiol
CID 131169667
7-methyl-1-benzothiophen-5-amine
CID 90308865
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
5-methylthieno[3,2-b]pyridin-7-amine
CID 66356248
5-amino-7-sulfanyl-1-benzothiophen-6-ol
CID 131122569
6-amino-7-fluoro-1-benzothiophene-5-thiol
CID 130816569
5-chloro-7-methyl-1-benzothiophen-6-amine
CID 130969770

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-benzothiophen-7-amine?
The IUPAC name of 5-propan-2-yl-1-benzothiophen-7-amine (CID 138632945) is 5-propan-2-yl-1-benzothiophen-7-amine.
What is the SMILES notation for 5-propan-2-yl-1-benzothiophen-7-amine?
The canonical SMILES for 5-propan-2-yl-1-benzothiophen-7-amine is CC(C)c1cc(N)c2sccc2c1.
What is the InChIKey of 5-propan-2-yl-1-benzothiophen-7-amine?
The InChIKey is DFNPHNOSKOQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-benzothiophen-7-amine?
5-propan-2-yl-1-benzothiophen-7-amine has a molecular weight of 191.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-benzothiophen-7-amine is sourced from PubChem (CID 138632945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).