2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine

C14H29NO2S — CID 113261091

IUPAC2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-5-18(16,17)11-10-15-13-9-7-6-8-12(13)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyAQCXWYUUOHKDRO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds5

About 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine

2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine (PubChem CID 113261091) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
PubChem CID113261091
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-5-18(16,17)11-10-15-13-9-7-6-8-12(13)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyAQCXWYUUOHKDRO-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-N-(2-ethylsulfonylethyl)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

2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
CID 103460679
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272
N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
CID 58431850
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine
CID 113375242
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 78958691
2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115728691
2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63455793

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine (CID 113261091) is 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine is CCS(=O)(=O)CCNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is AQCXWYUUOHKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-18(16,17)11-10-15-13-9-7-6-8-12(13)14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 113261091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).