5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one

C19H29N3O3S — CID 126788330

IUPAC5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1
InChIInChI=1S/C19H29N3O3S/c1-5-21(6-2)12-14-9-10-22(13-14)26(24,25)15-7-8-17-16(11-15)19(3,4)18(23)20-17/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,20,23)
InChIKeyAKZKBRHPPLKLBN-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.27
Rot. Bonds6

About 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one

5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one (PubChem CID 126788330) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
PubChem CID126788330
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1
InChIInChI=1S/C19H29N3O3S/c1-5-21(6-2)12-14-9-10-22(13-14)26(24,25)15-7-8-17-16(11-15)19(3,4)18(23)20-17/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,20,23)
InChIKeyAKZKBRHPPLKLBN-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 56730285
1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 110675383
5-[[9-[(dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl]sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 91920164
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 20921795
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,4-dihydroquinazolin-2-one
CID 71529422
(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 99799656
6-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 46962903
5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 75439608
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
CID 25104840
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126795705

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one (CID 126788330) is 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one is CCN(CC)CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1.
What is the InChIKey of 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one?
The InChIKey is AKZKBRHPPLKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-5-21(6-2)12-14-9-10-22(13-14)26(24,25)15-7-8-17-16(11-15)19(3,4)18(23)20-17/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,20,23).
What are the key properties of 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one?
5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one has a molecular weight of 379.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 126788330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).