6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine

C15H23NO3S — CID 79848176

IUPAC6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
SMILESCOc1cccc(S(=O)(=O)C2CCCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NO3S/c1-15(2)9-5-8-13(14(15)16)20(17,18)12-7-4-6-11(10-12)19-3/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3
InChIKeyNVLUHNDDIIDKQO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.37
Rot. Bonds3

About 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine

6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79848176) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79848176
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
SMILESCOc1cccc(S(=O)(=O)C2CCCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NO3S/c1-15(2)9-5-8-13(14(15)16)20(17,18)12-7-4-6-11(10-12)19-3/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3
InChIKeyNVLUHNDDIIDKQO-UHFFFAOYSA-N
XLogP2.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79847568
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
CID 81259849
1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
CID 135276645
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
1-[[1-(bromomethyl)cyclobutyl]methylsulfonyl]-3-methoxybenzene
CID 65009639
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
CID 79835658
(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole
CID 124578461

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine (CID 79848176) is 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine is COc1cccc(S(=O)(=O)C2CCCC(C)(C)C2N)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NVLUHNDDIIDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(2)9-5-8-13(14(15)16)20(17,18)12-7-4-6-11(10-12)19-3/h4,6-7,10,13-14H,5,8-9,16H2,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79848176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).