N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

C7H13N3O2S2 — CID 79562867

IUPACN-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1ncns1)S(C)(=O)=O
InChIInChI=1S/C7H13N3O2S2/c1-7(2,14(3,11)12)4-8-6-9-5-10-13-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyBDWPCKCJMJUSOS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.77
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 79562867) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID79562867
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1ncns1)S(C)(=O)=O
InChIInChI=1S/C7H13N3O2S2/c1-7(2,14(3,11)12)4-8-6-9-5-10-13-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyBDWPCKCJMJUSOS-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (CID 79562867) is N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)(CNc1ncns1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BDWPCKCJMJUSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-7(2,14(3,11)12)4-8-6-9-5-10-13-6/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79562867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).