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

C9H17N3O2S2 — CID 65273941

IUPACN-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C9H17N3O2S2/c1-6(2)8-11-9(15-12-8)10-7(3)5-16(4,13)14/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyOSQJVUPCAKARQT-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.51
Rot. Bonds5

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

N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65273941) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65273941
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C9H17N3O2S2/c1-6(2)8-11-9(15-12-8)10-7(3)5-16(4,13)14/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyOSQJVUPCAKARQT-UHFFFAOYSA-N
XLogP1.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
N-[(8S)-5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 164629461
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
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-(4-methylsulfinylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305166
N-(1,1-dioxothian-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267447
3-(butan-2-ylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267529
N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267581
N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267700
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
N-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267936

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65273941) is N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(CS(C)(=O)=O)Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OSQJVUPCAKARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-6(2)8-11-9(15-12-8)10-7(3)5-16(4,13)14/h6-7H,5H2,1-4H3,(H,10,11,12).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 263.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).