1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H23N3O3S — CID 119990877

IUPAC1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCNCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-10-15(5-6-16(13)18)23(21,22)19-8-3-4-14(19)11-17-2/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyWHGONEQDICMVEP-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.97
Rot. Bonds4

About 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 119990877) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID119990877
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCNCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-10-15(5-6-16(13)18)23(21,22)19-8-3-4-14(19)11-17-2/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyWHGONEQDICMVEP-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119977913
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110727870
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
methyl 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119991348

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 119990877) is 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CNCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WHGONEQDICMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-10-15(5-6-16(13)18)23(21,22)19-8-3-4-14(19)11-17-2/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 119990877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).