7-ethylsulfanyl-3H-isoindol-1-amine

C10H12N2S — CID 174365421

IUPAC7-ethylsulfanyl-3H-isoindol-1-amine
SMILESCCSc1cccc2c1C(N)=NC2
InChIInChI=1S/C10H12N2S/c1-2-13-8-5-3-4-7-6-12-10(11)9(7)8/h3-5H,2,6H2,1H3,(H2,11,12)
InChIKeyGMMXSPWJBREOOG-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.02
Rot. Bonds2

About 7-ethylsulfanyl-3H-isoindol-1-amine

7-ethylsulfanyl-3H-isoindol-1-amine (PubChem CID 174365421) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 7-ethylsulfanyl-3H-isoindol-1-amine.

Molecular Properties

Compound Name7-ethylsulfanyl-3H-isoindol-1-amine
PubChem CID174365421
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name7-ethylsulfanyl-3H-isoindol-1-amine
SMILESCCSc1cccc2c1C(N)=NC2
InChIInChI=1S/C10H12N2S/c1-2-13-8-5-3-4-7-6-12-10(11)9(7)8/h3-5H,2,6H2,1H3,(H2,11,12)
InChIKeyGMMXSPWJBREOOG-UHFFFAOYSA-N
XLogP2.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-3H-isoindol-1-amine?
The IUPAC name of 7-ethylsulfanyl-3H-isoindol-1-amine (CID 174365421) is 7-ethylsulfanyl-3H-isoindol-1-amine.
What is the SMILES notation for 7-ethylsulfanyl-3H-isoindol-1-amine?
The canonical SMILES for 7-ethylsulfanyl-3H-isoindol-1-amine is CCSc1cccc2c1C(N)=NC2.
What is the InChIKey of 7-ethylsulfanyl-3H-isoindol-1-amine?
The InChIKey is GMMXSPWJBREOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-13-8-5-3-4-7-6-12-10(11)9(7)8/h3-5H,2,6H2,1H3,(H2,11,12).
What are the key properties of 7-ethylsulfanyl-3H-isoindol-1-amine?
7-ethylsulfanyl-3H-isoindol-1-amine has a molecular weight of 192.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-3H-isoindol-1-amine is sourced from PubChem (CID 174365421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).