1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H23N3O3S — CID 119977913

IUPAC1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCNCC1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-8-6-14-3-4-15(9-16(14)19)23(21,22)18-7-5-13(11-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3
InChIKeyKYBBHMJDYZPWJY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.83
Rot. Bonds4

About 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 119977913) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID119977913
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCNCC1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-8-6-14-3-4-15(9-16(14)19)23(21,22)18-7-5-13(11-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3
InChIKeyKYBBHMJDYZPWJY-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
1-[6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119987858
1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 65244298
1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120582987
1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119975059
1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119990877
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119989182
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 119977913) is 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CNCC1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1.
What is the InChIKey of 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KYBBHMJDYZPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(20)19-8-6-14-3-4-15(9-16(14)19)23(21,22)18-7-5-13(11-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 119977913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).