3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide

C10H19N3O3S — CID 116793914

IUPAC3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
SMILESCC(C)C(COc1cnn(C)c1)CS(N)(=O)=O
InChIInChI=1S/C10H19N3O3S/c1-8(2)9(7-17(11,14)15)6-16-10-4-12-13(3)5-10/h4-5,8-9H,6-7H2,1-3H3,(H2,11,14,15)
InChIKeyFVFKUMWPFTZZTJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.36
Rot. Bonds6

About 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide

3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide (PubChem CID 116793914) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
PubChem CID116793914
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
SMILESCC(C)C(COc1cnn(C)c1)CS(N)(=O)=O
InChIInChI=1S/C10H19N3O3S/c1-8(2)9(7-17(11,14)15)6-16-10-4-12-13(3)5-10/h4-5,8-9H,6-7H2,1-3H3,(H2,11,14,15)
InChIKeyFVFKUMWPFTZZTJ-UHFFFAOYSA-N
XLogP0.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793917
9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
CID 105343945
3-(1-methylpyrazol-4-yl)oxy-2-phenylpropane-1-sulfonyl chloride
CID 116793890
1-methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
CID 116793212
2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116792504
2-[(2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012785
2-[(2,3-dimethylphenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012531
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide (CID 116793914) is 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide is CC(C)C(COc1cnn(C)c1)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The InChIKey is FVFKUMWPFTZZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(2)9(7-17(11,14)15)6-16-10-4-12-13(3)5-10/h4-5,8-9H,6-7H2,1-3H3,(H2,11,14,15).
What are the key properties of 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 116793914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).