2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide

C19H26N2O4S — CID 134690548

IUPAC2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O4S/c1-20-18(22)12-14-13-19(25-17-5-3-2-4-16(14)17)8-10-21(11-9-19)26(23,24)15-6-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,22)
InChIKeyIYCTYBBKKKNYTR-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.02
Rot. Bonds4

About 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide

2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide (PubChem CID 134690548) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide
PubChem CID134690548
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O4S/c1-20-18(22)12-14-13-19(25-17-5-3-2-4-16(14)17)8-10-21(11-9-19)26(23,24)15-6-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,22)
InChIKeyIYCTYBBKKKNYTR-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide?
The IUPAC name of 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide (CID 134690548) is 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide is CNC(=O)CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21.
What is the InChIKey of 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide?
The InChIKey is IYCTYBBKKKNYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-20-18(22)12-14-13-19(25-17-5-3-2-4-16(14)17)8-10-21(11-9-19)26(23,24)15-6-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,22).
What are the key properties of 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide?
2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide has a molecular weight of 378.49 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-cyclopropylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-methylacetamide is sourced from PubChem (CID 134690548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).