3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide

C12H21N3O2S2 — CID 47165000

IUPAC3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)N2CCCC(C)C2)cs1
InChIInChI=1S/C12H21N3O2S2/c1-10-4-3-7-15(8-10)19(16,17)13-6-5-12-9-18-11(2)14-12/h9-10,13H,3-8H2,1-2H3
InChIKeyMSRUTCXEGMKKFP-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.56
Rot. Bonds5

About 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide

3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 47165000) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
PubChem CID47165000
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)N2CCCC(C)C2)cs1
InChIInChI=1S/C12H21N3O2S2/c1-10-4-3-7-15(8-10)19(16,17)13-6-5-12-9-18-11(2)14-12/h9-10,13H,3-8H2,1-2H3
InChIKeyMSRUTCXEGMKKFP-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
3-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 131931237
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 35609636
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
1-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047889
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
1-ethyl-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide (CID 47165000) is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide is Cc1nc(CCNS(=O)(=O)N2CCCC(C)C2)cs1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is MSRUTCXEGMKKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-10-4-3-7-15(8-10)19(16,17)13-6-5-12-9-18-11(2)14-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide?
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47165000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).