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

C10H19N5O2S2 — CID 106089726

IUPAC3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)N2CCCC(CN)C2)s1
InChIInChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-5-3-4-8(6-11)7-15/h8H,2-7,11H2,1H3,(H,13,14)
InChIKeyVJEOSOQTXVBUPR-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.43
Rot. Bonds5

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

3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 106089726) has the molecular formula C10H19N5O2S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
PubChem CID106089726
Molecular FormulaC10H19N5O2S2
Molecular Weight305.43 g/mol
Exact Mass305.10
IUPAC Name3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)N2CCCC(CN)C2)s1
InChIInChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-5-3-4-8(6-11)7-15/h8H,2-7,11H2,1H3,(H,13,14)
InChIKeyVJEOSOQTXVBUPR-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089816
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106082713
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
CID 106002010
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106021797

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (CID 106089726) is 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is CCc1nnc(NS(=O)(=O)N2CCCC(CN)C2)s1.
What is the InChIKey of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is VJEOSOQTXVBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S2/c1-2-9-12-13-10(18-9)14-19(16,17)15-5-3-4-8(6-11)7-15/h8H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).