[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine

C13H27NO3S — CID 65093651

IUPAC[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCCOC1(CN)CCCC(C)C1
InChIInChI=1S/C13H27NO3S/c1-3-18(15,16)9-5-8-17-13(11-14)7-4-6-12(2)10-13/h12H,3-11,14H2,1-2H3
InChIKeyURTQTTKVBQOLOI-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.74
Rot. Bonds7

About [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine

[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine (PubChem CID 65093651) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
PubChem CID65093651
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCCOC1(CN)CCCC(C)C1
InChIInChI=1S/C13H27NO3S/c1-3-18(15,16)9-5-8-17-13(11-14)7-4-6-12(2)10-13/h12H,3-11,14H2,1-2H3
InChIKeyURTQTTKVBQOLOI-UHFFFAOYSA-N
XLogP1.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine 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

[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
CID 65052593
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
CID 65052194
[1-(2-propylsulfonylethoxy)cyclopentyl]methanamine
CID 106721574
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine (CID 65093651) is [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine is CCS(=O)(=O)CCCOC1(CN)CCCC(C)C1.
What is the InChIKey of [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine?
The InChIKey is URTQTTKVBQOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-18(15,16)9-5-8-17-13(11-14)7-4-6-12(2)10-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine?
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine has a molecular weight of 277.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 65093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).