3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide

C8H12N6O3S — CID 114182877

IUPAC3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn(C)nc2N)no1
InChIInChI=1S/C8H12N6O3S/c1-5-11-7(13-17-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12)
InChIKeyKXPBAMYNYCSSNO-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.83
Rot. Bonds4

About 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide

3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 114182877) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID114182877
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn(C)nc2N)no1
InChIInChI=1S/C8H12N6O3S/c1-5-11-7(13-17-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12)
InChIKeyKXPBAMYNYCSSNO-UHFFFAOYSA-N
XLogP-0.83
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 106407733
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987
2-amino-4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391941
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391937
3-amino-2,5,6-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391977
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 114182877) is 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2cn(C)nc2N)no1.
What is the InChIKey of 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is KXPBAMYNYCSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-5-11-7(13-17-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12).
What are the key properties of 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 114182877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).