6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C17H20ClNO4S — CID 108780280

IUPAC6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)C3CC3)CC1)CC2=O
InChIInChI=1S/C17H20ClNO4S/c1-11-8-12(18)9-14-15(20)10-17(23-16(11)14)4-6-19(7-5-17)24(21,22)13-2-3-13/h8-9,13H,2-7,10H2,1H3
InChIKeyJEIWBNVFXASKJT-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.94
Rot. Bonds2

About 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108780280) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108780280
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)C3CC3)CC1)CC2=O
InChIInChI=1S/C17H20ClNO4S/c1-11-8-12(18)9-14-15(20)10-17(23-16(11)14)4-6-19(7-5-17)24(21,22)13-2-3-13/h8-9,13H,2-7,10H2,1H3
InChIKeyJEIWBNVFXASKJT-UHFFFAOYSA-N
XLogP2.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1'-(4-fluorophenyl)sulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780267
methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726164
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726148
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750309
6-chloro-1'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726239
6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750325
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108780280) is 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(Cl)cc2c1OC1(CCN(S(=O)(=O)C3CC3)CC1)CC2=O.
What is the InChIKey of 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JEIWBNVFXASKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-11-8-12(18)9-14-15(20)10-17(23-16(11)14)4-6-19(7-5-17)24(21,22)13-2-3-13/h8-9,13H,2-7,10H2,1H3.
What are the key properties of 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 369.87 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108780280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).