3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C7H13N3O2S2 — CID 65273441

IUPAC3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S2/c1-5(4-14(3,11)12)8-7-9-6(2)10-13-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyRRZUQELWBYFHDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.69
Rot. Bonds4

About 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65273441) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65273441
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CS(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S2/c1-5(4-14(3,11)12)8-7-9-6(2)10-13-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyRRZUQELWBYFHDQ-UHFFFAOYSA-N
XLogP0.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106337790
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304675
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304731
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305154
N-(1-methylsulfinylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305158
N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305159

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65273441) is 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)CS(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RRZUQELWBYFHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-5(4-14(3,11)12)8-7-9-6(2)10-13-7/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).