(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

C16H18N2O3S2 — CID 121022772

IUPAC(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(15-10-22-12-17-15)18-8-6-14(7-9-18)23(20,21)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2
InChIKeyNLNQEIQOCSQLEW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.36
Rot. Bonds4

About (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 121022772) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID121022772
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(15-10-22-12-17-15)18-8-6-14(7-9-18)23(20,21)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2
InChIKeyNLNQEIQOCSQLEW-UHFFFAOYSA-N
XLogP2.36
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
(4-benzylsulfonylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 119105558
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 119105563
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
3-phenyl-1-[5-(1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one
CID 131646389
4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 119105567
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 121022772) is (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is NLNQEIQOCSQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(15-10-22-12-17-15)18-8-6-14(7-9-18)23(20,21)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2.
What are the key properties of (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121022772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).