2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide

C12H22N4O2S — CID 165480993

IUPAC2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H22N4O2S/c1-12(2,11(13)14)6-4-5-7-16-9-10(8-15-16)19(3,17)18/h8-9H,4-7H2,1-3H3,(H3,13,14)
InChIKeyQVYYIZXKCCACLA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.42
Rot. Bonds7

About 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide

2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide (PubChem CID 165480993) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
PubChem CID165480993
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H22N4O2S/c1-12(2,11(13)14)6-4-5-7-16-9-10(8-15-16)19(3,17)18/h8-9H,4-7H2,1-3H3,(H3,13,14)
InChIKeyQVYYIZXKCCACLA-UHFFFAOYSA-N
XLogP1.42
TPSA101.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252615
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
2,2-dimethyl-5-pyrazol-1-ylpentanimidamide
CID 65258391
1-decylpyrazole-4-sulfonamide
CID 81340467
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
(2R)-2-methyl-2-methylsulfonyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 175283296
5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
CID 165473024
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
6-(4-chloropyrazol-1-yl)-2,2-dimethylhexanoic acid
CID 106714172
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 104603232
1-octylpyrazole-4-sulfonyl chloride
CID 60912236

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide (CID 165480993) is 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide?
The InChIKey is QVYYIZXKCCACLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-12(2,11(13)14)6-4-5-7-16-9-10(8-15-16)19(3,17)18/h8-9H,4-7H2,1-3H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide?
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide has a molecular weight of 286.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide is sourced from PubChem (CID 165480993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).