3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide

C10H18N4O3S — CID 55014323

IUPAC3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCCCO2)c(N)n1
InChIInChI=1S/C10H18N4O3S/c1-14-7-9(10(11)13-14)18(15,16)12-6-8-4-2-3-5-17-8/h7-8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyIIORNWVCLYMWAX-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.15
Rot. Bonds4

About 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 55014323) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID55014323
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCCCO2)c(N)n1
InChIInChI=1S/C10H18N4O3S/c1-14-7-9(10(11)13-14)18(15,16)12-6-8-4-2-3-5-17-8/h7-8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyIIORNWVCLYMWAX-UHFFFAOYSA-N
XLogP-0.15
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1,4-dioxan-2-ylmethyl)-1-methylpyrazole-4-sulfonamide
CID 54908346
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 82459894
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
3-amino-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 114182877

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide (CID 55014323) is 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2CCCCO2)c(N)n1.
What is the InChIKey of 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is IIORNWVCLYMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14-7-9(10(11)13-14)18(15,16)12-6-8-4-2-3-5-17-8/h7-8,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55014323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).