2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole

C17H21N3O3S — CID 167798595

IUPAC2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole
SMILESCc1ncc(S(=O)(=O)N2CCC3(CC2)CN(C)c2ccccc23)o1
InChIInChI=1S/C17H21N3O3S/c1-13-18-11-16(23-13)24(21,22)20-9-7-17(8-10-20)12-19(2)15-6-4-3-5-14(15)17/h3-6,11H,7-10,12H2,1-2H3
InChIKeyCVVHUDWMAPDMLF-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.16
Rot. Bonds2

About 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole

2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole (PubChem CID 167798595) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole
PubChem CID167798595
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole
SMILESCc1ncc(S(=O)(=O)N2CCC3(CC2)CN(C)c2ccccc23)o1
InChIInChI=1S/C17H21N3O3S/c1-13-18-11-16(23-13)24(21,22)20-9-7-17(8-10-20)12-19(2)15-6-4-3-5-14(15)17/h3-6,11H,7-10,12H2,1-2H3
InChIKeyCVVHUDWMAPDMLF-UHFFFAOYSA-N
XLogP2.16
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole?
The IUPAC name of 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole (CID 167798595) is 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole is Cc1ncc(S(=O)(=O)N2CCC3(CC2)CN(C)c2ccccc23)o1.
What is the InChIKey of 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole?
The InChIKey is CVVHUDWMAPDMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-18-11-16(23-13)24(21,22)20-9-7-17(8-10-20)12-19(2)15-6-4-3-5-14(15)17/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole?
2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole has a molecular weight of 347.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 167798595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).