2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine

C9H19NO2S — CID 79847216

IUPAC2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(C)(=O)=O)C1N
InChIInChI=1S/C9H19NO2S/c1-9(2)6-4-5-7(8(9)10)13(3,11)12/h7-8H,4-6,10H2,1-3H3
InChIKeyQBRWKGTYVXAYOA-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds1

About 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine

2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine (PubChem CID 79847216) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
PubChem CID79847216
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(C)(=O)=O)C1N
InChIInChI=1S/C9H19NO2S/c1-9(2)6-4-5-7(8(9)10)13(3,11)12/h7-8H,4-6,10H2,1-3H3
InChIKeyQBRWKGTYVXAYOA-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440
6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine
CID 79848180
methyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 79847225
2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide
CID 114232047
6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79847568
methyl 3-(2-amino-3,3-dimethylcyclohexyl)sulfonylpropanoate
CID 79848100
tert-butyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 116687561
2-methylsulfonylcyclohexan-1-amine;hydrochloride
CID 122199419
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863453
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176
(2,2-dimethylcyclopentyl)methanesulfonamide
CID 107186498
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)cyclohexan-1-amine
CID 165473031

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine (CID 79847216) is 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine is CC1(C)CCCC(S(C)(=O)=O)C1N.
What is the InChIKey of 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine?
The InChIKey is QBRWKGTYVXAYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)6-4-5-7(8(9)10)13(3,11)12/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine?
2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 79847216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).