2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine

C12H21N3O2S — CID 165473031

IUPAC2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine
SMILESCC1(C)CCCC(n2cc(S(C)(=O)=O)cn2)C1N
InChIInChI=1S/C12H21N3O2S/c1-12(2)6-4-5-10(11(12)13)15-8-9(7-14-15)18(3,16)17/h7-8,10-11H,4-6,13H2,1-3H3
InChIKeyNIWZESHFSXKWNF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.37
Rot. Bonds2

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

2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 165473031) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID165473031
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine
SMILESCC1(C)CCCC(n2cc(S(C)(=O)=O)cn2)C1N
InChIInChI=1S/C12H21N3O2S/c1-12(2)6-4-5-10(11(12)13)15-8-9(7-14-15)18(3,16)17/h7-8,10-11H,4-6,13H2,1-3H3
InChIKeyNIWZESHFSXKWNF-UHFFFAOYSA-N
XLogP1.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-ol
CID 165480160
(3R,4R)-4-(4-methylsulfonylpyrazol-1-yl)pyrrolidin-3-ol
CID 165471765
4-(4-methylsulfonylpyrazol-1-yl)azepane
CID 165477573
2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
CID 79847216
2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
CID 165480123
2,2-dimethyl-5-pyrazol-1-ylcyclopentan-1-amine
CID 79859695
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 79828393
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 81340370
6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 79829023
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine (CID 165473031) is 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine is CC1(C)CCCC(n2cc(S(C)(=O)=O)cn2)C1N.
What is the InChIKey of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is NIWZESHFSXKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2)6-4-5-10(11(12)13)15-8-9(7-14-15)18(3,16)17/h7-8,10-11H,4-6,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine?
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 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)cyclohexan-1-amine is sourced from PubChem (CID 165473031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).