2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane

C8H17N3O2S — CID 114807954

IUPAC2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CC#N)C(C)C
InChIInChI=1S/C8H17N3O2S/c1-7(2)10-14(12,13)11(6-5-9)8(3)4/h7-8,10H,6H2,1-4H3
InChIKeyBCQFQVLQKVIPSE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds5

About 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane

2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 114807954) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID114807954
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CC#N)C(C)C
InChIInChI=1S/C8H17N3O2S/c1-7(2)10-14(12,13)11(6-5-9)8(3)4/h7-8,10H,6H2,1-4H3
InChIKeyBCQFQVLQKVIPSE-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
1-(Diethylsulfamoylamino)butane
CID 86256197
N-(butan-2-ylsulfamoyl)butan-2-amine
CID 134897087
Dimethyl n-isopropylsulfamide
CID 3834904
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
1-[Ethylsulfamoyl(propyl)amino]propane
CID 43247503
Diethyl n-isopropylsulfamide
CID 53256756
2-[Tert-butyl(propan-2-ylsulfamoyl)amino]-2-methylpropane
CID 58613885
1-(Methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane
CID 87272150
2-[Ethyl(ethylsulfamoyl)amino]propane
CID 89245378
2-[[Ethyl(methyl)sulfamoyl]amino]propane
CID 131225975

Frequently Asked Questions

What is the IUPAC name of 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane (CID 114807954) is 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)NS(=O)(=O)N(CC#N)C(C)C.
What is the InChIKey of 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is BCQFQVLQKVIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7(2)10-14(12,13)11(6-5-9)8(3)4/h7-8,10H,6H2,1-4H3.
What are the key properties of 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane?
2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 219.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 114807954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).