1-methylsulfonyl-2,3-dihydroindole-3-carboxamide

C10H12N2O3S — CID 166050469

IUPAC1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(N)=O)c2ccccc21
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H2,11,13)
InChIKeyJDKFXKIZLRAEBI-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.04
Rot. Bonds2

About 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide

1-methylsulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 166050469) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID166050469
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(N)=O)c2ccccc21
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H2,11,13)
InChIKeyJDKFXKIZLRAEBI-UHFFFAOYSA-N
XLogP0.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
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Spirobrassinin
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5-(Azepan-1-ylsulfonyl)-3-methyl-1,3-dihydroindol-2-one
CID 16310991
cis-N-(biphenyl-4-yl)-1''-(methylsulfonyl)spiro[cyclohexane-1,3''-indoline]-4-carboxamide
CID 18004985
1'-Methylspiro[indoline-3,3'-pyrrolidin]-2-one
CID 10932530
(+/-)-2-(2-Oxoindolin-3-yl)acetamide
CID 60156064
Spiro(indoline-3,3'-pyrrolidin)-2-one, 1'-ethyl-
CID 3042071
(S)-Spirobrassinin
CID 6424827
(3s)-Spiro[indole-3,3'-Pyrrolidin]-2(1h)-One
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N-(4-isopropylphenyl)-1-(methylsulfonyl)indoline-5-carboxamide
CID 24761444

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide (CID 166050469) is 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide is CS(=O)(=O)N1CC(C(N)=O)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is JDKFXKIZLRAEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-16(14,15)12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H2,11,13).
What are the key properties of 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide?
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 166050469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).