1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide

C13H18N2O3S — CID 3293798

IUPAC1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-3-7-14-13(16)11-4-5-12-10(9-11)6-8-15(12)19(2,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyPLIHOYNACXRNKF-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.15
Rot. Bonds4

About 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide (PubChem CID 3293798) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
PubChem CID3293798
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-3-7-14-13(16)11-4-5-12-10(9-11)6-8-15(12)19(2,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyPLIHOYNACXRNKF-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide (CID 3293798) is 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PLIHOYNACXRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-7-14-13(16)11-4-5-12-10(9-11)6-8-15(12)19(2,17)18/h4-5,9H,3,6-8H2,1-2H3,(H,14,16).
What are the key properties of 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 3293798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).