2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane

C11H15ClN2O3S2 — CID 114279255

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C11H15ClN2O3S2/c12-10-13-7-9(18-10)19(15,16)14-4-1-11(8-14)2-5-17-6-3-11/h7H,1-6,8H2
InChIKeyPHJYBULIFPMWDC-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.99
Rot. Bonds2

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 114279255) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID114279255
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C11H15ClN2O3S2/c12-10-13-7-9(18-10)19(15,16)14-4-1-11(8-14)2-5-17-6-3-11/h7H,1-6,8H2
InChIKeyPHJYBULIFPMWDC-UHFFFAOYSA-N
XLogP1.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 61042545
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 61047456
7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131020159
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107877932
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107216901
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045053
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane (CID 114279255) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane is O=S(=O)(c1cnc(Cl)s1)N1CCC2(CCOCC2)C1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is PHJYBULIFPMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c12-10-13-7-9(18-10)19(15,16)14-4-1-11(8-14)2-5-17-6-3-11/h7H,1-6,8H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 322.84 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 114279255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).