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

C12H21N3O2S2 — CID 90597476

IUPACN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-2-3-10-19(16,17)14-11-4-7-15(8-5-11)12-13-6-9-18-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyBJLOVEKVSQFLMD-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.83
Rot. Bonds6

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

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 90597476) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID90597476
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-2-3-10-19(16,17)14-11-4-7-15(8-5-11)12-13-6-9-18-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyBJLOVEKVSQFLMD-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
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
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]butane-1-sulfonamide
CID 90619625
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide (CID 90597476) is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is BJLOVEKVSQFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-2-3-10-19(16,17)14-11-4-7-15(8-5-11)12-13-6-9-18-12/h6,9,11,14H,2-5,7-8,10H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.83, 6 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]butane-1-sulfonamide is sourced from PubChem (CID 90597476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).