N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

C6H10ClN3O3S2 — CID 125425011

IUPACN-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@](=O)(=NS(=O)(=O)Cl)c1nccn1C
InChIInChI=1S/C6H10ClN3O3S2/c1-3-14(11,9-15(7,12)13)6-8-4-5-10(6)2/h4-5H,3H2,1-2H3/t14-/m1/s1
InChIKeyOKPAQQWKRJFILU-CQSZACIVSA-N
MW271.75 g/mol
LogP0.75
Rot. Bonds3

About N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125425011) has the molecular formula C6H10ClN3O3S2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125425011
Molecular FormulaC6H10ClN3O3S2
Molecular Weight271.75 g/mol
Exact Mass270.99
IUPAC NameN-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@](=O)(=NS(=O)(=O)Cl)c1nccn1C
InChIInChI=1S/C6H10ClN3O3S2/c1-3-14(11,9-15(7,12)13)6-8-4-5-10(6)2/h4-5H,3H2,1-2H3/t14-/m1/s1
InChIKeyOKPAQQWKRJFILU-CQSZACIVSA-N
XLogP0.75
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methylimidazole-2-sulfonamide
CID 130916931
1-methylimidazole-2-sulfonic acid;hydrochloride
CID 174969416
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
CID 22018176
N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165437989
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495642
N,N-dimethyl-3-(1-methylimidazol-2-yl)sulfonylpropan-1-amine
CID 141130547
1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 70402886
1-(1-methylimidazol-2-yl)sulfonyloxybutane-1-sulfonic acid
CID 141389232
4-(1-methylimidazol-2-yl)sulfonylbutanenitrile
CID 75499829
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 125425011) is N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is CC[S@](=O)(=NS(=O)(=O)Cl)c1nccn1C.
What is the InChIKey of N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is OKPAQQWKRJFILU-CQSZACIVSA-N. The full InChI is InChI=1S/C6H10ClN3O3S2/c1-3-14(11,9-15(7,12)13)6-8-4-5-10(6)2/h4-5H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 271.75 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125425011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).