[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane

C12H27N3O2S — CID 54947877

IUPAC[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-9,13H2,1-3H3
InChIKeyKITKVOLHUPNFKJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds6

About [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane

[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane (PubChem CID 54947877) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane.

Molecular Properties

Compound Name[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane
PubChem CID54947877
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-9,13H2,1-3H3
InChIKeyKITKVOLHUPNFKJ-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane?
The IUPAC name of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane (CID 54947877) is [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane.
What is the SMILES notation for [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane?
The canonical SMILES for [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane is CC(C)N(C)S(=O)(=O)NC(CN)C1CCCCC1.
What is the InChIKey of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane?
The InChIKey is KITKVOLHUPNFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane?
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane is sourced from PubChem (CID 54947877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).