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

C11H21N3O3S — CID 116793917

IUPAC3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
SMILESCn1cc(OCC(CS(N)(=O)=O)C(C)(C)C)cn1
InChIInChI=1S/C11H21N3O3S/c1-11(2,3)9(8-18(12,15)16)7-17-10-5-13-14(4)6-10/h5-6,9H,7-8H2,1-4H3,(H2,12,15,16)
InChIKeyJYLGQEPTSPFOMR-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.75
Rot. Bonds5

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

3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide (PubChem CID 116793917) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
PubChem CID116793917
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
SMILESCn1cc(OCC(CS(N)(=O)=O)C(C)(C)C)cn1
InChIInChI=1S/C11H21N3O3S/c1-11(2,3)9(8-18(12,15)16)7-17-10-5-13-14(4)6-10/h5-6,9H,7-8H2,1-4H3,(H2,12,15,16)
InChIKeyJYLGQEPTSPFOMR-UHFFFAOYSA-N
XLogP0.75
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
3,3-dimethyl-2-[(4-methylphenoxy)methyl]butane-1-sulfonamide
CID 65015475
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
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
CID 116793212
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
2-[(2-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015618
2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116792504
3,3-dimethyl-2-[(2-nitrophenoxy)methyl]butane-1-sulfonamide
CID 65015232
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide (CID 116793917) is 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide is Cn1cc(OCC(CS(N)(=O)=O)C(C)(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
The InChIKey is JYLGQEPTSPFOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-11(2,3)9(8-18(12,15)16)7-17-10-5-13-14(4)6-10/h5-6,9H,7-8H2,1-4H3,(H2,12,15,16).
What are the key properties of 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide?
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 116793917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).