2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile

C15H17N3O3S — CID 97400115

IUPAC2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
SMILESCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC#N)c1ccccc12
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)17-9-6-15(7-10-17)12-4-2-3-5-13(12)18(11-8-16)14(15)19/h2-5H,6-7,9-11H2,1H3
InChIKeyPRLJZTLNEBBWBH-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.85
Rot. Bonds2

About 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile

2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile (PubChem CID 97400115) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
PubChem CID97400115
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
SMILESCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC#N)c1ccccc12
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)17-9-6-15(7-10-17)12-4-2-3-5-13(12)18(11-8-16)14(15)19/h2-5H,6-7,9-11H2,1H3
InChIKeyPRLJZTLNEBBWBH-UHFFFAOYSA-N
XLogP0.85
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
2-(1',3'-dioxospiro[cyclopentane-1,4'-isoquinoline]-2'-yl)acetonitrile
CID 22763131
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 97400082
2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
CID 59564958
2-[1'-[4-(5-fluoropyrimidin-2-yl)phenyl]sulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetic acid
CID 59564952
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073271
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
CID 59909654
CID 59909654

Frequently Asked Questions

What is the IUPAC name of 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile?
The IUPAC name of 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile (CID 97400115) is 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile.
What is the SMILES notation for 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile?
The canonical SMILES for 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile is CS(=O)(=O)N1CCC2(CC1)C(=O)N(CC#N)c1ccccc12.
What is the InChIKey of 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile?
The InChIKey is PRLJZTLNEBBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-22(20,21)17-9-6-15(7-10-17)12-4-2-3-5-13(12)18(11-8-16)14(15)19/h2-5H,6-7,9-11H2,1H3.
What are the key properties of 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile?
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile has a molecular weight of 319.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile is sourced from PubChem (CID 97400115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).