5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one

C14H19N3O3S — CID 115312431

IUPAC5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3CN)cc21
InChIInChI=1S/C14H19N3O3S/c1-9-12-7-11(4-5-13(12)16-14(9)18)21(19,20)17-6-2-3-10(17)8-15/h4-5,7,9-10H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyVANDNWSGVKFAJQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.85
Rot. Bonds3

About 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one

5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 115312431) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID115312431
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3CN)cc21
InChIInChI=1S/C14H19N3O3S/c1-9-12-7-11(4-5-13(12)16-14(9)18)21(19,20)17-6-2-3-10(17)8-15/h4-5,7,9-10H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyVANDNWSGVKFAJQ-UHFFFAOYSA-N
XLogP0.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119988962
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one (CID 115312431) is 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3CN)cc21.
What is the InChIKey of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is VANDNWSGVKFAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-12-7-11(4-5-13(12)16-14(9)18)21(19,20)17-6-2-3-10(17)8-15/h4-5,7,9-10H,2-3,6,8,15H2,1H3,(H,16,18).
What are the key properties of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 115312431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).