1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane

C13H25N3O2S — CID 61124092

IUPAC1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C13H25N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-10H2,1-3H3
InChIKeyWWFFMMSRXXNSQL-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.03
Rot. Bonds6

About 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane

1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane (PubChem CID 61124092) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
PubChem CID61124092
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C13H25N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-10H2,1-3H3
InChIKeyWWFFMMSRXXNSQL-UHFFFAOYSA-N
XLogP2.03
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
CID 114463344
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
CID 65088092
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane (CID 61124092) is 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane is CCC1CCC(C#N)(NS(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The InChIKey is WWFFMMSRXXNSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-10H2,1-3H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane has a molecular weight of 287.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane is sourced from PubChem (CID 61124092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).