1,2-bis(cyclohexylsulfonyl)ethanimine

C14H25NO4S2 — CID 134267815

IUPAC1,2-bis(cyclohexylsulfonyl)ethanimine
SMILES[H]/N=C(\CS(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H25NO4S2/c15-14(21(18,19)13-9-5-2-6-10-13)11-20(16,17)12-7-3-1-4-8-12/h12-13,15H,1-11H2/b15-14+
InChIKeyKDOVBSGYFHPSJC-CCEZHUSRSA-N
MW335.49 g/mol
LogP2.46
Rot. Bonds4

About 1,2-bis(cyclohexylsulfonyl)ethanimine

1,2-bis(cyclohexylsulfonyl)ethanimine (PubChem CID 134267815) has the molecular formula C14H25NO4S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1,2-bis(cyclohexylsulfonyl)ethanimine.

Molecular Properties

Compound Name1,2-bis(cyclohexylsulfonyl)ethanimine
PubChem CID134267815
Molecular FormulaC14H25NO4S2
Molecular Weight335.49 g/mol
Exact Mass335.12
IUPAC Name1,2-bis(cyclohexylsulfonyl)ethanimine
SMILES[H]/N=C(\CS(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H25NO4S2/c15-14(21(18,19)13-9-5-2-6-10-13)11-20(16,17)12-7-3-1-4-8-12/h12-13,15H,1-11H2/b15-14+
InChIKeyKDOVBSGYFHPSJC-CCEZHUSRSA-N
XLogP2.46
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
2-cyclohexylsulfonylethaneperoxoic acid
CID 163740166
cyclohexylsulfonylformic acid
CID 117036747
N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
cyclohexylsulfonylmethanethiol
CID 117036891
2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
CID 90592811
2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510625
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64635420
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
cyclooctanesulfonyl iodide
CID 22935862

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(cyclohexylsulfonyl)ethanimine?
The IUPAC name of 1,2-bis(cyclohexylsulfonyl)ethanimine (CID 134267815) is 1,2-bis(cyclohexylsulfonyl)ethanimine.
What is the SMILES notation for 1,2-bis(cyclohexylsulfonyl)ethanimine?
The canonical SMILES for 1,2-bis(cyclohexylsulfonyl)ethanimine is [H]/N=C(\CS(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1,2-bis(cyclohexylsulfonyl)ethanimine?
The InChIKey is KDOVBSGYFHPSJC-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H25NO4S2/c15-14(21(18,19)13-9-5-2-6-10-13)11-20(16,17)12-7-3-1-4-8-12/h12-13,15H,1-11H2/b15-14+.
What are the key properties of 1,2-bis(cyclohexylsulfonyl)ethanimine?
1,2-bis(cyclohexylsulfonyl)ethanimine has a molecular weight of 335.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(cyclohexylsulfonyl)ethanimine is sourced from PubChem (CID 134267815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).