2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane

C7H15N3O2S — CID 114807770

IUPAC2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane
SMILESCN(CC#N)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O2S/c1-7(2,3)9-13(11,12)10(4)6-5-8/h9H,6H2,1-4H3
InChIKeyCLUDPSZMIPOUIC-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.07
Rot. Bonds3

About 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane

2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 114807770) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane
PubChem CID114807770
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane
SMILESCN(CC#N)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O2S/c1-7(2,3)9-13(11,12)10(4)6-5-8/h9H,6H2,1-4H3
InChIKeyCLUDPSZMIPOUIC-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane (CID 114807770) is 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane is CN(CC#N)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is CLUDPSZMIPOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-7(2,3)9-13(11,12)10(4)6-5-8/h9H,6H2,1-4H3.
What are the key properties of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane?
2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 205.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane is sourced from PubChem (CID 114807770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).