N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide

C11H19N3O2S2 — CID 90597545

IUPACN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-9-18(15,16)13-10-3-6-14(7-4-10)11-12-5-8-17-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyQVWFGWDKCWQOSP-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.44
Rot. Bonds5

About N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 90597545) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID90597545
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-9-18(15,16)13-10-3-6-14(7-4-10)11-12-5-8-17-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyQVWFGWDKCWQOSP-UHFFFAOYSA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597556
2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597529
1-(4-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 90597494
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide (CID 90597545) is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is QVWFGWDKCWQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-2-9-18(15,16)13-10-3-6-14(7-4-10)11-12-5-8-17-11/h5,8,10,13H,2-4,6-7,9H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 90597545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).