1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one

C20H31N3O3S — CID 20938186

IUPAC1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
SMILESCC(C)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1
InChIInChI=1S/C20H31N3O3S/c1-14(2)21(5)15-9-11-23(12-10-15)27(25,26)16-7-8-18-17(13-16)20(3,4)19(24)22(18)6/h7-8,13-15H,9-12H2,1-6H3
InChIKeyUOWGKGLZHUNZLD-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.43
Rot. Bonds4

About 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one

1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one (PubChem CID 20938186) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
PubChem CID20938186
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
SMILESCC(C)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1
InChIInChI=1S/C20H31N3O3S/c1-14(2)21(5)15-9-11-23(12-10-15)27(25,26)16-7-8-18-17(13-16)20(3,4)19(24)22(18)6/h7-8,13-15H,9-12H2,1-6H3
InChIKeyUOWGKGLZHUNZLD-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
CID 92692890
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
CID 22582612
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
5-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3,3-trimethylindol-2-one
CID 92692889
N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 91954008
1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
CID 91938381
N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279
(3S)-N-[(4-fluorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92505582
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one (CID 20938186) is 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one is CC(C)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1.
What is the InChIKey of 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one?
The InChIKey is UOWGKGLZHUNZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-14(2)21(5)15-9-11-23(12-10-15)27(25,26)16-7-8-18-17(13-16)20(3,4)19(24)22(18)6/h7-8,13-15H,9-12H2,1-6H3.
What are the key properties of 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one?
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one has a molecular weight of 393.55 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one is sourced from PubChem (CID 20938186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).