6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one

C14H18N2O3S — CID 166241564

IUPAC6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one
SMILESNCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1
InChIInChI=1S/C14H18N2O3S/c15-8-10-5-6-16(9-10)20(18,19)12-3-1-11-2-4-14(17)13(11)7-12/h1,3,7,10H,2,4-6,8-9,15H2
InChIKeyXIZANHLOZTVSAF-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.78
Rot. Bonds3

About 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one

6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one (PubChem CID 166241564) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one
PubChem CID166241564
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one
SMILESNCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1
InChIInChI=1S/C14H18N2O3S/c15-8-10-5-6-16(9-10)20(18,19)12-3-1-11-2-4-14(17)13(11)7-12/h1,3,7,10H,2,4-6,8-9,15H2
InChIKeyXIZANHLOZTVSAF-UHFFFAOYSA-N
XLogP0.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1R,5S,6R)-6-(aminomethyl)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]-2,3-dihydroinden-1-one
CID 166290380
1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
[1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061632
6-[(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)sulfonyl]-2,3-dihydroinden-1-one
CID 166241566
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one (CID 166241564) is 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one is NCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1.
What is the InChIKey of 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one?
The InChIKey is XIZANHLOZTVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-8-10-5-6-16(9-10)20(18,19)12-3-1-11-2-4-14(17)13(11)7-12/h1,3,7,10H,2,4-6,8-9,15H2.
What are the key properties of 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one?
6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one has a molecular weight of 294.38 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 166241564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).