N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C7H15N5O2S2 — CID 66278570

IUPACN-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)ns1)NS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S2/c1-7(2,12-16(3,13)14)4-9-6-10-5(8)11-15-6/h12H,4H2,1-3H3,(H3,8,9,10,11)
InChIKeyAAWIUAULLJRKCD-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.14
Rot. Bonds5

About N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 66278570) has the molecular formula C7H15N5O2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID66278570
Molecular FormulaC7H15N5O2S2
Molecular Weight265.36 g/mol
Exact Mass265.07
IUPAC NameN-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)ns1)NS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S2/c1-7(2,12-16(3,13)14)4-9-6-10-5(8)11-15-6/h12H,4H2,1-3H3,(H3,8,9,10,11)
InChIKeyAAWIUAULLJRKCD-UHFFFAOYSA-N
XLogP-0.14
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 66278570) is N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc(N)ns1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is AAWIUAULLJRKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S2/c1-7(2,12-16(3,13)14)4-9-6-10-5(8)11-15-6/h12H,4H2,1-3H3,(H3,8,9,10,11).
What are the key properties of N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 265.36 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 66278570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).