2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide

C14H17N3O3S — CID 68895866

IUPAC2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)C1CC2(C=Nc3ccccc32)CCN1C(N)=O
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)12-8-14(6-7-17(12)13(15)18)9-16-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H2,15,18)
InChIKeyHKZJMRZZQGMJBR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.19
Rot. Bonds1

About 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide

2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 68895866) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide
PubChem CID68895866
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)C1CC2(C=Nc3ccccc32)CCN1C(N)=O
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)12-8-14(6-7-17(12)13(15)18)9-16-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H2,15,18)
InChIKeyHKZJMRZZQGMJBR-UHFFFAOYSA-N
XLogP1.19
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 90702501
1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
CID 177414966
2-methylsulfonylpiperidine-1-carboxamide
CID 141152910
2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 14048773
methyl (2'R,3S)-1'-[(4-methoxyphenyl)methyl]-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate
CID 101047660
(3-hydroxyindol-3-yl) hydrogen sulfate
CID 174968996
4-(3-methylindol-3-yl)butanoic acid
CID 176812630
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
3-(3-chloro-5-fluorophenyl)spiro[cyclohexane-1,3'-indole]
CID 142671191
[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131198
spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
3-benzyl-4-methyl-3H-quinoline-4-carboxylic acid
CID 163857506

Frequently Asked Questions

What is the IUPAC name of 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide (CID 68895866) is 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)C1CC2(C=Nc3ccccc32)CCN1C(N)=O.
What is the InChIKey of 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is HKZJMRZZQGMJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(19,20)12-8-14(6-7-17(12)13(15)18)9-16-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H2,15,18).
What are the key properties of 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide?
2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 68895866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).