8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C14H18ClNO3S2 — CID 90510737

IUPAC8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-11-2-3-12(10-13(11)15)21(17,18)16-6-4-14(5-7-16)19-8-9-20-14/h2-3,10H,4-9H2,1H3
InChIKeyUEYLQTVZPQEBOM-UHFFFAOYSA-N
MW347.89 g/mol
LogP2.89
Rot. Bonds2

About 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 90510737) has the molecular formula C14H18ClNO3S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID90510737
Molecular FormulaC14H18ClNO3S2
Molecular Weight347.89 g/mol
Exact Mass347.04
IUPAC Name8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-11-2-3-12(10-13(11)15)21(17,18)16-6-4-14(5-7-16)19-8-9-20-14/h2-3,10H,4-9H2,1H3
InChIKeyUEYLQTVZPQEBOM-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Related Compounds

8-(4-tert-butylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510743
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510709
8-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764702
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
CID 71785159
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 90510737) is 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1Cl.
What is the InChIKey of 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is UEYLQTVZPQEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S2/c1-11-2-3-12(10-13(11)15)21(17,18)16-6-4-14(5-7-16)19-8-9-20-14/h2-3,10H,4-9H2,1H3.
What are the key properties of 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 347.89 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 90510737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).