2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide

C12H23N5O2S2 — CID 106089752

IUPAC2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H23N5O2S2/c1-3-11-14-15-12(20-11)16-21(18,19)17-8-6-5-7-10(17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyUYVVLHNFZUJXHP-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.22
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide

2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 106089752) has the molecular formula C12H23N5O2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
PubChem CID106089752
Molecular FormulaC12H23N5O2S2
Molecular Weight333.48 g/mol
Exact Mass333.13
IUPAC Name2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H23N5O2S2/c1-3-11-14-15-12(20-11)16-21(18,19)17-8-6-5-7-10(17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyUYVVLHNFZUJXHP-UHFFFAOYSA-N
XLogP1.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089816
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106019082
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106020517
N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106086578
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
2-(ethylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-sulfonamide
CID 81174553

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (CID 106089752) is 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is UYVVLHNFZUJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S2/c1-3-11-14-15-12(20-11)16-21(18,19)17-8-6-5-7-10(17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106089752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).