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

C10H19N5O2S2 — CID 106089816

IUPAC2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)N2CCCCC2CN)s1
InChIInChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-6-4-3-5-8(15)7-11/h8H,2-7,11H2,1H3,(H,13,14)
InChIKeyCMJSCZDZZNPOJR-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.57
Rot. Bonds5

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

2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 106089816) has the molecular formula C10H19N5O2S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
PubChem CID106089816
Molecular FormulaC10H19N5O2S2
Molecular Weight305.43 g/mol
Exact Mass305.10
IUPAC Name2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)N2CCCCC2CN)s1
InChIInChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-6-4-3-5-8(15)7-11/h8H,2-7,11H2,1H3,(H,13,14)
InChIKeyCMJSCZDZZNPOJR-UHFFFAOYSA-N
XLogP0.57
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089752
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide
CID 106083001
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
N-[5-[2-(aminomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116640179
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106019082
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106093444
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (CID 106089816) is 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is CCc1nnc(NS(=O)(=O)N2CCCCC2CN)s1.
What is the InChIKey of 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is CMJSCZDZZNPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-6-4-3-5-8(15)7-11/h8H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106089816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).