2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine

C12H25NO3S — CID 82933057

IUPAC2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine
SMILESCOCCNCC(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-16-9-8-13-10-12(17(2,14)15)11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPCDNCBKWBNEPDN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds7

About 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine

2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine (PubChem CID 82933057) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine
PubChem CID82933057
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine
SMILESCOCCNCC(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-16-9-8-13-10-12(17(2,14)15)11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPCDNCBKWBNEPDN-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
CID 106730380
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
N-[2-(2-methoxyethylamino)ethyl]cyclohexanesulfonamide
CID 83039706
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
CID 165464562
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
CID 62718489

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine?
The IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine (CID 82933057) is 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine.
What is the SMILES notation for 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine?
The canonical SMILES for 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine is COCCNCC(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine?
The InChIKey is PCDNCBKWBNEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-16-9-8-13-10-12(17(2,14)15)11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine?
2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 82933057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).