N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide

C15H21N3O3S — CID 119551449

IUPACN-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCNC1
InChIInChI=1S/C15H21N3O3S/c1-17(13-5-7-16-10-13)15(19)12-3-4-14-11(9-12)6-8-18(14)22(2,20)21/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyXFHQFJQNOIWDDI-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.44
Rot. Bonds3

About N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide

N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide (PubChem CID 119551449) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide
PubChem CID119551449
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCNC1
InChIInChI=1S/C15H21N3O3S/c1-17(13-5-7-16-10-13)15(19)12-3-4-14-11(9-12)6-8-18(14)22(2,20)21/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyXFHQFJQNOIWDDI-UHFFFAOYSA-N
XLogP0.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-piperidin-3-yl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119425799
N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 120554270
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
2-[methyl-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119209230
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 34577851
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide (CID 119551449) is N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide is CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCNC1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide?
The InChIKey is XFHQFJQNOIWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17(13-5-7-16-10-13)15(19)12-3-4-14-11(9-12)6-8-18(14)22(2,20)21/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide?
N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 119551449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).