N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

C11H14N2O3S — CID 53160438

IUPACN-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C11H14N2O3S/c1-12-11(14)9-4-3-8-5-6-13(10(8)7-9)17(2,15)16/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyXBHUTPUDSVHJTI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.37
Rot. Bonds2

About N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160438) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160438
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C11H14N2O3S/c1-12-11(14)9-4-3-8-5-6-13(10(8)7-9)17(2,15)16/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyXBHUTPUDSVHJTI-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160417
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160429
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
CID 53160481
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060
1-methylsulfonyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 162309885
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160452
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (CID 53160438) is N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is CNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2.
What is the InChIKey of N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is XBHUTPUDSVHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-12-11(14)9-4-3-8-5-6-13(10(8)7-9)17(2,15)16/h3-4,7H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).