1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one

C16H20N2O3S — CID 56906621

IUPAC1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-17-14-5-3-2-4-13(14)16(15(17)19)8-10-18(11-9-16)22(20,21)12-6-7-12/h2-5,12H,6-11H2,1H3
InChIKeyFPFQQGLUYSMOHV-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.49
Rot. Bonds2

About 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 56906621) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID56906621
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-17-14-5-3-2-4-13(14)16(15(17)19)8-10-18(11-9-16)22(20,21)12-6-7-12/h2-5,12H,6-11H2,1H3
InChIKeyFPFQQGLUYSMOHV-UHFFFAOYSA-N
XLogP1.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 56906621) is 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21.
What is the InChIKey of 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FPFQQGLUYSMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-17-14-5-3-2-4-13(14)16(15(17)19)8-10-18(11-9-16)22(20,21)12-6-7-12/h2-5,12H,6-11H2,1H3.
What are the key properties of 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 320.41 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56906621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).