2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride

C13H19ClN2O3S2 — CID 79908468

IUPAC2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H19ClN2O3S2/c1-10-15-12(21(14,17)18)9-16(10)11-2-5-19-13(8-11)3-6-20-7-4-13/h9,11H,2-8H2,1H3
InChIKeySFCFMBOYFWGQKK-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.74
Rot. Bonds2

About 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride

2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride (PubChem CID 79908468) has the molecular formula C13H19ClN2O3S2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
PubChem CID79908468
Molecular FormulaC13H19ClN2O3S2
Molecular Weight350.89 g/mol
Exact Mass350.05
IUPAC Name2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H19ClN2O3S2/c1-10-15-12(21(14,17)18)9-16(10)11-2-5-19-13(8-11)3-6-20-7-4-13/h9,11H,2-8H2,1H3
InChIKeySFCFMBOYFWGQKK-UHFFFAOYSA-N
XLogP2.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81340557
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole-4-sulfonyl chloride
CID 79911466
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride
CID 64730131
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649
4-(1-bromoethyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)triazole
CID 81449694
3,5-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-amine
CID 79903937
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344151
4-bromo-3-nitro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79908715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride (CID 79908468) is 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride?
The InChIKey is SFCFMBOYFWGQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S2/c1-10-15-12(21(14,17)18)9-16(10)11-2-5-19-13(8-11)3-6-20-7-4-13/h9,11H,2-8H2,1H3.
What are the key properties of 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride?
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride has a molecular weight of 350.89 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 79908468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).