(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide

C11H19N3O2S2 — CID 95761653

IUPAC(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2nccs2)C1
InChIInChI=1S/C11H19N3O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)13-6-11-12-3-4-17-11/h3-4,9-10,13H,5-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZJHJIOZGPACPMM-UWVGGRQHSA-N
MW289.43 g/mol
LogP1.46
Rot. Bonds4

About (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide

(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 95761653) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID95761653
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2nccs2)C1
InChIInChI=1S/C11H19N3O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)13-6-11-12-3-4-17-11/h3-4,9-10,13H,5-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZJHJIOZGPACPMM-UWVGGRQHSA-N
XLogP1.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 61283284
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 79523252
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 52529765
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 51129646
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 35609636
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide (CID 95761653) is (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide is C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2nccs2)C1.
What is the InChIKey of (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is ZJHJIOZGPACPMM-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)13-6-11-12-3-4-17-11/h3-4,9-10,13H,5-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide?
(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 95761653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).