N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide

C7H14N4O2S2 — CID 65274159

IUPACN-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncns1)NS(C)(=O)=O
InChIInChI=1S/C7H14N4O2S2/c1-7(2,11-15(3,12)13)4-8-6-9-5-10-14-6/h5,11H,4H2,1-3H3,(H,8,9,10)
InChIKeyCYOSFBJQJAHNRI-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.28
Rot. Bonds5

About N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 65274159) has the molecular formula C7H14N4O2S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide
PubChem CID65274159
Molecular FormulaC7H14N4O2S2
Molecular Weight250.35 g/mol
Exact Mass250.06
IUPAC NameN-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncns1)NS(C)(=O)=O
InChIInChI=1S/C7H14N4O2S2/c1-7(2,11-15(3,12)13)4-8-6-9-5-10-14-6/h5,11H,4H2,1-3H3,(H,8,9,10)
InChIKeyCYOSFBJQJAHNRI-UHFFFAOYSA-N
XLogP0.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide (CID 65274159) is N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNc1ncns1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is CYOSFBJQJAHNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S2/c1-7(2,11-15(3,12)13)4-8-6-9-5-10-14-6/h5,11H,4H2,1-3H3,(H,8,9,10).
What are the key properties of N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 250.35 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 65274159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).