1-methylsulfanylindole-6-carboxamide

C10H10N2OS — CID 141472005

IUPAC1-methylsulfanylindole-6-carboxamide
SMILESCSn1ccc2ccc(C(N)=O)cc21
InChIInChI=1S/C10H10N2OS/c1-14-12-5-4-7-2-3-8(10(11)13)6-9(7)12/h2-6H,1H3,(H2,11,13)
InChIKeyNLDWJCNPIQZVKT-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.87
Rot. Bonds2

About 1-methylsulfanylindole-6-carboxamide

1-methylsulfanylindole-6-carboxamide (PubChem CID 141472005) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-methylsulfanylindole-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfanylindole-6-carboxamide
PubChem CID141472005
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-methylsulfanylindole-6-carboxamide
SMILESCSn1ccc2ccc(C(N)=O)cc21
InChIInChI=1S/C10H10N2OS/c1-14-12-5-4-7-2-3-8(10(11)13)6-9(7)12/h2-6H,1H3,(H2,11,13)
InChIKeyNLDWJCNPIQZVKT-UHFFFAOYSA-N
XLogP1.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylindole-6-carboxamide?
The IUPAC name of 1-methylsulfanylindole-6-carboxamide (CID 141472005) is 1-methylsulfanylindole-6-carboxamide.
What is the SMILES notation for 1-methylsulfanylindole-6-carboxamide?
The canonical SMILES for 1-methylsulfanylindole-6-carboxamide is CSn1ccc2ccc(C(N)=O)cc21.
What is the InChIKey of 1-methylsulfanylindole-6-carboxamide?
The InChIKey is NLDWJCNPIQZVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-14-12-5-4-7-2-3-8(10(11)13)6-9(7)12/h2-6H,1H3,(H2,11,13).
What are the key properties of 1-methylsulfanylindole-6-carboxamide?
1-methylsulfanylindole-6-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylindole-6-carboxamide is sourced from PubChem (CID 141472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).