8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C14H18ClNO3S2 — CID 56764694

IUPAC8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H18ClNO3S2/c1-11-12(15)3-2-4-13(11)21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h2-4H,5-10H2,1H3
InChIKeyOJZVCMQHHDOUMV-UHFFFAOYSA-N
MW347.89 g/mol
LogP2.89
Rot. Bonds2

About 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764694) has the molecular formula C14H18ClNO3S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764694
Molecular FormulaC14H18ClNO3S2
Molecular Weight347.89 g/mol
Exact Mass347.04
IUPAC Name8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H18ClNO3S2/c1-11-12(15)3-2-4-13(11)21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h2-4H,5-10H2,1H3
InChIKeyOJZVCMQHHDOUMV-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

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Related Compounds

8-(3-chloro-4-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510737
8-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764702
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
1'-(3-chloro-2-methylphenyl)sulfonylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719207
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
4-(3-chloro-2-methylphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine
CID 122162085
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595678

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764694) is 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is OJZVCMQHHDOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S2/c1-11-12(15)3-2-4-13(11)21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h2-4H,5-10H2,1H3.
What are the key properties of 8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(3-chloro-2-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-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).