5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine

C6H12N4O2S2 — CID 66281186

IUPAC5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCS(=O)(=O)CCCNc1nc(N)ns1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)4-2-3-8-6-9-5(7)10-13-6/h2-4H2,1H3,(H3,7,8,9,10)
InChIKeyDGDDYQOMTUPXSP-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.03
Rot. Bonds5

About 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66281186) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66281186
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC Name5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCS(=O)(=O)CCCNc1nc(N)ns1
InChIInChI=1S/C6H12N4O2S2/c1-14(11,12)4-2-3-8-6-9-5(7)10-13-6/h2-4H2,1H3,(H3,7,8,9,10)
InChIKeyDGDDYQOMTUPXSP-UHFFFAOYSA-N
XLogP-0.03
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
CID 65268163
3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268266
3-(methylsulfonylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268760
N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65269210
3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65270902
N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65271057
3-ethyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65271115
2-(1,2,4-Thiadiazol-5-ylamino)ethanesulfonamide
CID 65271506
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
CID 65271565
N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65271714

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine (CID 66281186) is 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine is CS(=O)(=O)CCCNc1nc(N)ns1.
What is the InChIKey of 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DGDDYQOMTUPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-14(11,12)4-2-3-8-6-9-5(7)10-13-6/h2-4H2,1H3,(H3,7,8,9,10).
What are the key properties of 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 236.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).