1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane

C7H15N3O2S — CID 114807797

IUPAC1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane
SMILESCC(C)NS(=O)(=O)N(C)C(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-6(2)9-13(11,12)10(4)7(3)5-8/h6-7,9H,1-4H3
InChIKeyLVFTUHPYBJFLJR-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.07
Rot. Bonds4

About 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane

1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane (PubChem CID 114807797) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane
PubChem CID114807797
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane
SMILESCC(C)NS(=O)(=O)N(C)C(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-6(2)9-13(11,12)10(4)7(3)5-8/h6-7,9H,1-4H3
InChIKeyLVFTUHPYBJFLJR-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
1-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807792
Dimethyl n-isopropylsulfamide
CID 3834904
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
Diethyl n-isopropylsulfamide
CID 53256756
2-[Methyl(methylsulfamoyl)amino]propane
CID 60768545
CID 88743482
CID 88743482
2-[Ethyl(ethylsulfamoyl)amino]propane
CID 89245378
1-Cyano-2-[propan-2-yl(sulfamoyl)amino]ethane
CID 112692582
3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
2-[[Ethyl(methyl)sulfamoyl]amino]propane
CID 131225975
2-[[Iodomethyl(methyl)sulfamoyl]amino]propane
CID 138623255

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane?
The IUPAC name of 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane (CID 114807797) is 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane.
What is the SMILES notation for 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane?
The canonical SMILES for 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane is CC(C)NS(=O)(=O)N(C)C(C)C#N.
What is the InChIKey of 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane?
The InChIKey is LVFTUHPYBJFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-6(2)9-13(11,12)10(4)7(3)5-8/h6-7,9H,1-4H3.
What are the key properties of 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane?
1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane has a molecular weight of 205.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane is sourced from PubChem (CID 114807797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).