1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane

C21H43N3O3S — CID 69199804

IUPAC1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane
SMILESC=CCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C21H43N3O3S/c1-5-7-16-22-28(25,26)24(4)20-12-14-21(15-13-20)27-19-11-9-8-10-18-23(3)17-6-2/h6,20-22H,2,5,7-19H2,1,3-4H3
InChIKeyMGHMSRZAEPIFMN-UHFFFAOYSA-N
MW417.66 g/mol
LogP3.56
Rot. Bonds16

About 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane

1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane (PubChem CID 69199804) has the molecular formula C21H43N3O3S and a molecular weight of 417.66 g/mol. Its IUPAC name is 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane.

Molecular Properties

Compound Name1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane
PubChem CID69199804
Molecular FormulaC21H43N3O3S
Molecular Weight417.66 g/mol
Exact Mass417.30
IUPAC Name1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane
SMILESC=CCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C21H43N3O3S/c1-5-7-16-22-28(25,26)24(4)20-12-14-21(15-13-20)27-19-11-9-8-10-18-23(3)17-6-2/h6,20-22H,2,5,7-19H2,1,3-4H3
InChIKeyMGHMSRZAEPIFMN-UHFFFAOYSA-N
XLogP3.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.66
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane?
The IUPAC name of 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane (CID 69199804) is 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane.
What is the SMILES notation for 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane?
The canonical SMILES for 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane is C=CCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCCCC)CC1.
What is the InChIKey of 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane?
The InChIKey is MGHMSRZAEPIFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O3S/c1-5-7-16-22-28(25,26)24(4)20-12-14-21(15-13-20)27-19-11-9-8-10-18-23(3)17-6-2/h6,20-22H,2,5,7-19H2,1,3-4H3.
What are the key properties of 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane?
1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane has a molecular weight of 417.66 g/mol, XLogP of 3.56, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butylsulfamoyl(methyl)amino]-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexane is sourced from PubChem (CID 69199804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).