1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]

C17H18ClNO3S2 — CID 90565827

IUPAC1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C17H18ClNO3S2/c18-15-5-6-16(23-15)24(20,21)19-11-9-17(10-12-19)8-7-13-3-1-2-4-14(13)22-17/h1-6H,7-12H2
InChIKeyCNJKZJQKVCKMIS-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.95
Rot. Bonds2

About 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 90565827) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID90565827
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C17H18ClNO3S2/c18-15-5-6-16(23-15)24(20,21)19-11-9-17(10-12-19)8-7-13-3-1-2-4-14(13)22-17/h1-6H,7-12H2
InChIKeyCNJKZJQKVCKMIS-UHFFFAOYSA-N
XLogP3.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 90565827) is 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] is O=S(=O)(c1ccc(Cl)s1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is CNJKZJQKVCKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c18-15-5-6-16(23-15)24(20,21)19-11-9-17(10-12-19)8-7-13-3-1-2-4-14(13)22-17/h1-6H,7-12H2.
What are the key properties of 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 383.92 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chlorothiophen-2-yl)sulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 90565827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).