4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine

C14H19N3O4S3 — CID 86265156

IUPAC4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1
InChIInChI=1S/C14H19N3O4S3/c1-11-3-4-13(22-11)24(20,21)17-8-5-12(6-9-17)23(18,19)14-15-7-10-16(14)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyONBNXWRBXYJNKV-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.42
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine

4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 86265156) has the molecular formula C14H19N3O4S3 and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID86265156
Molecular FormulaC14H19N3O4S3
Molecular Weight389.52 g/mol
Exact Mass389.05
IUPAC Name4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1
InChIInChI=1S/C14H19N3O4S3/c1-11-3-4-13(22-11)24(20,21)17-8-5-12(6-9-17)23(18,19)14-15-7-10-16(14)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyONBNXWRBXYJNKV-UHFFFAOYSA-N
XLogP1.42
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine
CID 86265164
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749068
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine (CID 86265156) is 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is ONBNXWRBXYJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S3/c1-11-3-4-13(22-11)24(20,21)17-8-5-12(6-9-17)23(18,19)14-15-7-10-16(14)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 389.52 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 86265156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).