N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H17N5O3S2 — CID 114695273

IUPACN-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC2CCCNC2C)s1
InChIInChI=1S/C10H17N5O3S2/c1-6-8(4-3-5-11-6)15-20(17,18)10-14-13-9(19-10)12-7(2)16/h6,8,11,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyYDZDTRCZXRIPRJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.08
Rot. Bonds4

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

N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 114695273) has the molecular formula C10H17N5O3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID114695273
Molecular FormulaC10H17N5O3S2
Molecular Weight319.41 g/mol
Exact Mass319.08
IUPAC NameN-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC2CCCNC2C)s1
InChIInChI=1S/C10H17N5O3S2/c1-6-8(4-3-5-11-6)15-20(17,18)10-14-13-9(19-10)12-7(2)16/h6,8,11,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyYDZDTRCZXRIPRJ-UHFFFAOYSA-N
XLogP-0.08
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106364604
N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 125060441
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726547
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 114695273) is N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NC2CCCNC2C)s1.
What is the InChIKey of N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YDZDTRCZXRIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S2/c1-6-8(4-3-5-11-6)15-20(17,18)10-14-13-9(19-10)12-7(2)16/h6,8,11,15H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 114695273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).