(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol

C14H19N3O3S2 — CID 75387293

IUPAC(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H19N3O3S2/c1-16-8-6-15-14(16)13(18)11-4-2-7-17(10-11)22(19,20)12-5-3-9-21-12/h3,5-6,8-9,11,13,18H,2,4,7,10H2,1H3
InChIKeyLTFSXDRHIRLIGA-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.62
Rot. Bonds4

About (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol

(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol (PubChem CID 75387293) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol
PubChem CID75387293
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H19N3O3S2/c1-16-8-6-15-14(16)13(18)11-4-2-7-17(10-11)22(19,20)12-5-3-9-21-12/h3,5-6,8-9,11,13,18H,2,4,7,10H2,1H3
InChIKeyLTFSXDRHIRLIGA-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40971950
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone
CID 110007880
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
N-(1-pyridin-4-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18160601
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol (CID 75387293) is (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol is Cn1ccnc1C(O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol?
The InChIKey is LTFSXDRHIRLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-16-8-6-15-14(16)13(18)11-4-2-7-17(10-11)22(19,20)12-5-3-9-21-12/h3,5-6,8-9,11,13,18H,2,4,7,10H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol?
(1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol has a molecular weight of 341.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 75387293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).