N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine

C13H27NO2S — CID 65093543

IUPACN-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCCNC1CC(C)CC(C)C1
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)7-5-6-14-13-9-11(2)8-12(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeyXDJZSHIFSBMVGQ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine

N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 65093543) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID65093543
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCCNC1CC(C)CC(C)C1
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)7-5-6-14-13-9-11(2)8-12(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeyXDJZSHIFSBMVGQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-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

3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
CID 103827919
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine (CID 65093543) is N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine is CCS(=O)(=O)CCCNC1CC(C)CC(C)C1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is XDJZSHIFSBMVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-17(15,16)7-5-6-14-13-9-11(2)8-12(3)10-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine?
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65093543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).