N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine

C15H29NO2S — CID 64655460

IUPACN-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)C1CCOCC1
InChIInChI=1S/C15H29NO2S/c1-4-16-13-5-8-15(2,3)11-14(13)19(17)12-6-9-18-10-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeyKEHAZRKHFHPNOG-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine

N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine (PubChem CID 64655460) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
PubChem CID64655460
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)C1CCOCC1
InChIInChI=1S/C15H29NO2S/c1-4-16-13-5-8-15(2,3)11-14(13)19(17)12-6-9-18-10-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeyKEHAZRKHFHPNOG-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64717388
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
CID 107759484
N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64646429
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine (CID 64655460) is N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine is CCNC1CCC(C)(C)CC1S(=O)C1CCOCC1.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The InChIKey is KEHAZRKHFHPNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-16-13-5-8-15(2,3)11-14(13)19(17)12-6-9-18-10-7-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64655460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).