4-cyano-4-(dimethylsulfamoylamino)oxane

C8H15N3O3S — CID 82290117

IUPAC4-cyano-4-(dimethylsulfamoylamino)oxane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C8H15N3O3S/c1-11(2)15(12,13)10-8(7-9)3-5-14-6-4-8/h10H,3-6H2,1-2H3
InChIKeyIEBMTXRYPVVQCG-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.54
Rot. Bonds3

About 4-cyano-4-(dimethylsulfamoylamino)oxane

4-cyano-4-(dimethylsulfamoylamino)oxane (PubChem CID 82290117) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-cyano-4-(dimethylsulfamoylamino)oxane.

Molecular Properties

Compound Name4-cyano-4-(dimethylsulfamoylamino)oxane
PubChem CID82290117
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name4-cyano-4-(dimethylsulfamoylamino)oxane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C8H15N3O3S/c1-11(2)15(12,13)10-8(7-9)3-5-14-6-4-8/h10H,3-6H2,1-2H3
InChIKeyIEBMTXRYPVVQCG-UHFFFAOYSA-N
XLogP-0.54
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876
4-methylsulfonyloxane-4-carbonitrile
CID 62474179
N-(4-cyanooxan-4-yl)-2-ethylbutanamide
CID 82287407
4-[2-(dimethylamino)ethylamino]oxepane-4-carbonitrile
CID 65079338
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide
CID 115766982
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
N-(3-cyanooxolan-3-yl)formamide
CID 164551035
(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane
CID 124850646
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
1-amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
CID 59559738

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(dimethylsulfamoylamino)oxane?
The IUPAC name of 4-cyano-4-(dimethylsulfamoylamino)oxane (CID 82290117) is 4-cyano-4-(dimethylsulfamoylamino)oxane.
What is the SMILES notation for 4-cyano-4-(dimethylsulfamoylamino)oxane?
The canonical SMILES for 4-cyano-4-(dimethylsulfamoylamino)oxane is CN(C)S(=O)(=O)NC1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-4-(dimethylsulfamoylamino)oxane?
The InChIKey is IEBMTXRYPVVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-11(2)15(12,13)10-8(7-9)3-5-14-6-4-8/h10H,3-6H2,1-2H3.
What are the key properties of 4-cyano-4-(dimethylsulfamoylamino)oxane?
4-cyano-4-(dimethylsulfamoylamino)oxane has a molecular weight of 233.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(dimethylsulfamoylamino)oxane is sourced from PubChem (CID 82290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).