7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

C18H19NO4S2 — CID 100758998

IUPAC7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O
InChIInChI=1S/C18H19NO4S2/c1-13-4-5-14-15(20)12-18(23-16(14)11-13)6-8-19(9-7-18)25(21,22)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyGQOZDQYPOLYQFC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.25
Rot. Bonds2

About 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100758998) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100758998
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC Name7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O
InChIInChI=1S/C18H19NO4S2/c1-13-4-5-14-15(20)12-18(23-16(14)11-13)6-8-19(9-7-18)25(21,22)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyGQOZDQYPOLYQFC-UHFFFAOYSA-N
XLogP3.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759450
1'-benzylsulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759022
1'-(3-bromo-4-methoxyphenyl)sulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759048
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
1'-(2-methoxy-5-methylphenyl)sulfonyl-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781825
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759644
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586336
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 100758998) is 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O.
What is the InChIKey of 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is GQOZDQYPOLYQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-13-4-5-14-15(20)12-18(23-16(14)11-13)6-8-19(9-7-18)25(21,22)17-3-2-10-24-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).