3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C7H13N3O2S2 — CID 65269229

IUPAC3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C7H13N3O2S2/c1-5(2)8-7-9-6(10-13-7)4-14(3,11)12/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyYXHDSKGSOMXGGX-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds4

About 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269229) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269229
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C7H13N3O2S2/c1-5(2)8-7-9-6(10-13-7)4-14(3,11)12/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyYXHDSKGSOMXGGX-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
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-(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
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305149
N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305154

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65269229) is 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(CS(C)(=O)=O)ns1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YXHDSKGSOMXGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-5(2)8-7-9-6(10-13-7)4-14(3,11)12/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).