1,4-bis(diethylsulfamoylamino)cyclohexane

C14H32N4O4S2 — CID 31065973

IUPAC1,4-bis(diethylsulfamoylamino)cyclohexane
SMILESCCN(CC)S(=O)(=O)NC1CCC(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H32N4O4S2/c1-5-17(6-2)23(19,20)15-13-9-11-14(12-10-13)16-24(21,22)18(7-3)8-4/h13-16H,5-12H2,1-4H3
InChIKeyCFSDBFJMDOJVBA-UHFFFAOYSA-N
MW384.57 g/mol
LogP0.65
Rot. Bonds10

About 1,4-bis(diethylsulfamoylamino)cyclohexane

1,4-bis(diethylsulfamoylamino)cyclohexane (PubChem CID 31065973) has the molecular formula C14H32N4O4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1,4-bis(diethylsulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1,4-bis(diethylsulfamoylamino)cyclohexane
PubChem CID31065973
Molecular FormulaC14H32N4O4S2
Molecular Weight384.57 g/mol
Exact Mass384.19
IUPAC Name1,4-bis(diethylsulfamoylamino)cyclohexane
SMILESCCN(CC)S(=O)(=O)NC1CCC(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H32N4O4S2/c1-5-17(6-2)23(19,20)15-13-9-11-14(12-10-13)16-24(21,22)18(7-3)8-4/h13-16H,5-12H2,1-4H3
InChIKeyCFSDBFJMDOJVBA-UHFFFAOYSA-N
XLogP0.65
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
CID 43653561
(diethylsulfamoylamino)cyclopentane
CID 60713674
methyl 2-[cyclopropylsulfamoyl(ethyl)amino]acetate
CID 114383181
8-(diethylsulfamoylamino)-1,4-dioxaspiro[4.5]decane
CID 47319519
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
CID 120716789
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947723
[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
CID 114803918
3-[cyclopropylsulfamoyl(ethyl)amino]pyrrolidine
CID 114805061
1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
CID 119970554
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(diethylsulfamoylamino)cyclohexane?
The IUPAC name of 1,4-bis(diethylsulfamoylamino)cyclohexane (CID 31065973) is 1,4-bis(diethylsulfamoylamino)cyclohexane.
What is the SMILES notation for 1,4-bis(diethylsulfamoylamino)cyclohexane?
The canonical SMILES for 1,4-bis(diethylsulfamoylamino)cyclohexane is CCN(CC)S(=O)(=O)NC1CCC(NS(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of 1,4-bis(diethylsulfamoylamino)cyclohexane?
The InChIKey is CFSDBFJMDOJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O4S2/c1-5-17(6-2)23(19,20)15-13-9-11-14(12-10-13)16-24(21,22)18(7-3)8-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,4-bis(diethylsulfamoylamino)cyclohexane?
1,4-bis(diethylsulfamoylamino)cyclohexane has a molecular weight of 384.57 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diethylsulfamoylamino)cyclohexane is sourced from PubChem (CID 31065973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).