N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide

C11H12N2O2S — CID 118676839

IUPACN-methyl-3-methylsulfinyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(S(C)=O)c[nH]c2c1
InChIInChI=1S/C11H12N2O2S/c1-12-11(14)7-3-4-8-9(5-7)13-6-10(8)16(2)15/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKSOLAFSFZRAUPI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.26
Rot. Bonds2

About N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide

N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide (PubChem CID 118676839) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfinyl-1H-indole-6-carboxamide
PubChem CID118676839
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-methyl-3-methylsulfinyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(S(C)=O)c[nH]c2c1
InChIInChI=1S/C11H12N2O2S/c1-12-11(14)7-3-4-8-9(5-7)13-6-10(8)16(2)15/h3-6,13H,1-2H3,(H,12,14)
InChIKeyKSOLAFSFZRAUPI-UHFFFAOYSA-N
XLogP1.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide?
The IUPAC name of N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide (CID 118676839) is N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide?
The canonical SMILES for N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide is CNC(=O)c1ccc2c(S(C)=O)c[nH]c2c1.
What is the InChIKey of N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide?
The InChIKey is KSOLAFSFZRAUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-12-11(14)7-3-4-8-9(5-7)13-6-10(8)16(2)15/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide?
N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide is sourced from PubChem (CID 118676839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).