1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

C16H21N3O4S — CID 110675383

IUPAC1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C16H21N3O4S/c1-16(2)12-9-11(3-4-13(12)18-15(16)21)24(22,23)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyQEMHOZZQWURPPQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.80
Rot. Bonds3

About 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 110675383) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID110675383
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C16H21N3O4S/c1-16(2)12-9-11(3-4-13(12)18-15(16)21)24(22,23)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyQEMHOZZQWURPPQ-UHFFFAOYSA-N
XLogP0.80
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
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
5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 126788330
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22550008
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
5-[[9-[(dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl]sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 91920164
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 20921795
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126795705
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide (CID 110675383) is 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc21.
What is the InChIKey of 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is QEMHOZZQWURPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-16(2)12-9-11(3-4-13(12)18-15(16)21)24(22,23)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide?
1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 110675383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).