N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine

C12H25NO2S — CID 81422987

IUPACN-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCC(C)(C)C1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-8-13-11-6-5-7-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyXIEYAXDHSKGJBS-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine

N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine (PubChem CID 81422987) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
PubChem CID81422987
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCC(C)(C)C1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-8-13-11-6-5-7-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyXIEYAXDHSKGJBS-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
CID 143483556
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine (CID 81422987) is N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine is CCS(=O)(=O)CCNC1CCCC(C)(C)C1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine?
The InChIKey is XIEYAXDHSKGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-16(14,15)9-8-13-11-6-5-7-12(2,3)10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine?
N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81422987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).