N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide

C11H21N5O2S2 — CID 56795620

IUPACN,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H21N5O2S2/c1-4-15(5-2)20(17,18)16-8-6-14(7-9-16)11-12-10(3)13-19-11/h4-9H2,1-3H3
InChIKeyWWHPCNBQGXXJNC-UHFFFAOYSA-N
MW319.46 g/mol
LogP0.56
Rot. Bonds5

About N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide

N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide (PubChem CID 56795620) has the molecular formula C11H21N5O2S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide
PubChem CID56795620
Molecular FormulaC11H21N5O2S2
Molecular Weight319.46 g/mol
Exact Mass319.11
IUPAC NameN,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H21N5O2S2/c1-4-15(5-2)20(17,18)16-8-6-14(7-9-16)11-12-10(3)13-19-11/h4-9H2,1-3H3
InChIKeyWWHPCNBQGXXJNC-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
Sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioate
CID 23690464
5-(4-(2-Fluoroethyl)piperazin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121020694
3-Ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126817237
5-(4-Methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 136538526
CID 170845301
CID 170845301
5-(4-Methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-thiadiazole
CID 53942387
3-Methyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57712251
3-Ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
3-Ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141839
5-(4-Tert-butylpiperazin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 168726604
4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioic acid
CID 11970564

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide (CID 56795620) is N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide?
The InChIKey is WWHPCNBQGXXJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S2/c1-4-15(5-2)20(17,18)16-8-6-14(7-9-16)11-12-10(3)13-19-11/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide?
N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide has a molecular weight of 319.46 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 56795620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).