7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane

C10H14N2O4S2 — CID 131020159

IUPAC7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCc1ncc(S(=O)(=O)N2CCC3(C2)OCCO3)s1
InChIInChI=1S/C10H14N2O4S2/c1-8-11-6-9(17-8)18(13,14)12-3-2-10(7-12)15-4-5-16-10/h6H,2-5,7H2,1H3
InChIKeyONHTXUZDHKPQIR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.59
Rot. Bonds2

About 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 131020159) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID131020159
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCc1ncc(S(=O)(=O)N2CCC3(C2)OCCO3)s1
InChIInChI=1S/C10H14N2O4S2/c1-8-11-6-9(17-8)18(13,14)12-3-2-10(7-12)15-4-5-16-10/h6H,2-5,7H2,1H3
InChIKeyONHTXUZDHKPQIR-UHFFFAOYSA-N
XLogP0.59
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane with MolForge

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Related Compounds

[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
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2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
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2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
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(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,2-oxazolidine
CID 104600574
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103415890
N'-hydroxy-4-methylsulfanyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboximidamide
CID 103415739
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
CID 103414427
5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 131020159) is 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane is Cc1ncc(S(=O)(=O)N2CCC3(C2)OCCO3)s1.
What is the InChIKey of 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ONHTXUZDHKPQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-8-11-6-9(17-8)18(13,14)12-3-2-10(7-12)15-4-5-16-10/h6H,2-5,7H2,1H3.
What are the key properties of 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 290.37 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131020159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).