1-(thiolan-3-yl)imidazole-2-sulfonyl chloride

C7H9ClN2O2S2 — CID 84737840

IUPAC1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccn1C1CCSC1
InChIInChI=1S/C7H9ClN2O2S2/c8-14(11,12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2
InChIKeyBSQLKZCWEHSYHN-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.49
Rot. Bonds2

About 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride

1-(thiolan-3-yl)imidazole-2-sulfonyl chloride (PubChem CID 84737840) has the molecular formula C7H9ClN2O2S2 and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
PubChem CID84737840
Molecular FormulaC7H9ClN2O2S2
Molecular Weight252.75 g/mol
Exact Mass251.98
IUPAC Name1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccn1C1CCSC1
InChIInChI=1S/C7H9ClN2O2S2/c8-14(11,12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2
InChIKeyBSQLKZCWEHSYHN-UHFFFAOYSA-N
XLogP1.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride
CID 84738431
1-(thiolan-3-yl)imidazole-2-carboxylic acid
CID 84733611
4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
CID 155910854
1-cyclobutyl-2-methylsulfonylimidazole
CID 130635620
1-cyclohexyl-2-methylsulfonylimidazole
CID 82128342
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
2-bromo-1-(thian-3-yl)imidazole
CID 84737479
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
CID 56907677
1-cyclopropyl-3-(thiolan-3-ylamino)pyrazin-2-one
CID 103931022
9-(thiolan-3-yl)purine-2,6-diamine;dihydrochloride
CID 141031134

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride?
The IUPAC name of 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride (CID 84737840) is 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride.
What is the SMILES notation for 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride?
The canonical SMILES for 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride is O=S(=O)(Cl)c1nccn1C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride?
The InChIKey is BSQLKZCWEHSYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S2/c8-14(11,12)7-9-2-3-10(7)6-1-4-13-5-6/h2-3,6H,1,4-5H2.
What are the key properties of 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride?
1-(thiolan-3-yl)imidazole-2-sulfonyl chloride has a molecular weight of 252.75 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)imidazole-2-sulfonyl chloride is sourced from PubChem (CID 84737840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).