1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride

C9H14ClN3O2S — CID 84738431

IUPAC1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride
SMILESCN1CCC(n2ccnc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClN3O2S/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)16(10,14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVUUQQWWBJIHHMA-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.08
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride

1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride (PubChem CID 84738431) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride
PubChem CID84738431
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride
SMILESCN1CCC(n2ccnc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClN3O2S/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)16(10,14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVUUQQWWBJIHHMA-UHFFFAOYSA-N
XLogP1.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloroimidazol-1-yl)-1-methylpiperidine
CID 84733725
1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
CID 84737840
1-cyclobutyl-2-methylsulfonylimidazole
CID 130635620
1-cyclohexyl-2-methylsulfonylimidazole
CID 82128342
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568395
1-cyclopropyl-3-[2-(1-methylpiperidin-4-yl)ethylamino]pyrazin-2-one
CID 115917330
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155918918
1-benzyl-3-[(1-cyclopropylimidazol-2-yl)sulfonylmethyl]pyrazole
CID 167977638
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 145424448
2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
CID 97175253

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride (CID 84738431) is 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride is CN1CCC(n2ccnc2S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride?
The InChIKey is VUUQQWWBJIHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)16(10,14)15/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride?
1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride has a molecular weight of 263.75 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride is sourced from PubChem (CID 84738431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).