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

C7H11N3O2S2 — CID 65268779

IUPACN-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)4-6-9-7(13-10-6)8-5-2-3-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyWZYHRFQNDYMWAA-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.66
Rot. Bonds4

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

N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268779) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268779
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)4-6-9-7(13-10-6)8-5-2-3-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyWZYHRFQNDYMWAA-UHFFFAOYSA-N
XLogP0.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.66
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-(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
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-(4-methylsulfinylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305166
3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 126822913
N-(1,1-dioxothian-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267447
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268779) is N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)Cc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WZYHRFQNDYMWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-14(11,12)4-6-9-7(13-10-6)8-5-2-3-5/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 233.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).