N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide

C12H20N4O3S2 — CID 22517536

IUPACN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C12H20N4O3S2/c1-3-4-10(17)13-11-14-15-12(20-11)21(18,19)16-7-5-9(2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyWNPAKQXZCMALFV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.70
Rot. Bonds5

About N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide

N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 22517536) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID22517536
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C12H20N4O3S2/c1-3-4-10(17)13-11-14-15-12(20-11)21(18,19)16-7-5-9(2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyWNPAKQXZCMALFV-UHFFFAOYSA-N
XLogP1.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

5-Valproylamido-1,3,4-thiamidazole-2-sulfonamide
CID 4228388
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 16017592
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-3-methylbutanamide
CID 16017596
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-ethylbutanamide
CID 16017614
2-(4-methylpiperidin-1-yl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 44391805
3-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 153620283
2-Ethyl-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]butanamide
CID 22517585
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]propanamide
CID 16017588
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]butanamide
CID 16017590
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]pentanamide
CID 16017594
N-[5-(Pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]butanamide
CID 22517583

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide (CID 22517536) is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1.
What is the InChIKey of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is WNPAKQXZCMALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-3-4-10(17)13-11-14-15-12(20-11)21(18,19)16-7-5-9(2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17).
What are the key properties of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide?
N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 332.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 22517536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).