1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol

C10H16ClN3O3S — CID 103896804

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1O
InChIInChI=1S/C10H16ClN3O3S/c1-7-3-4-14(5-8(7)15)18(16,17)10-9(11)13(2)6-12-10/h6-8,15H,3-5H2,1-2H3
InChIKeyAZWBJYRNKKUVHR-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.46
Rot. Bonds2

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol (PubChem CID 103896804) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
PubChem CID103896804
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1O
InChIInChI=1S/C10H16ClN3O3S/c1-7-3-4-14(5-8(7)15)18(16,17)10-9(11)13(2)6-12-10/h6-8,15H,3-5H2,1-2H3
InChIKeyAZWBJYRNKKUVHR-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
CID 115611984
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
CID 43415248
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine
CID 61045933
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 115969898
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 51983555
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
CID 114150476
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
CID 61046514
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 102959041

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol (CID 103896804) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1O.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is AZWBJYRNKKUVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-7-3-4-14(5-8(7)15)18(16,17)10-9(11)13(2)6-12-10/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 293.78 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).