6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine

C11H23NO3S — CID 79848180

IUPAC6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine
SMILESCOCCS(=O)(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H23NO3S/c1-11(2)6-4-5-9(10(11)12)16(13,14)8-7-15-3/h9-10H,4-8,12H2,1-3H3
InChIKeyOKGPRQGUQBFWKF-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.95
Rot. Bonds4

About 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine

6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79848180) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79848180
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine
SMILESCOCCS(=O)(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H23NO3S/c1-11(2)6-4-5-9(10(11)12)16(13,14)8-7-15-3/h9-10H,4-8,12H2,1-3H3
InChIKeyOKGPRQGUQBFWKF-UHFFFAOYSA-N
XLogP0.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine (CID 79848180) is 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine is COCCS(=O)(=O)C1CCCC(C)(C)C1N.
What is the InChIKey of 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is OKGPRQGUQBFWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2)6-4-5-9(10(11)12)16(13,14)8-7-15-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine?
6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79848180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).