1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile

C7H13N3O2S — CID 164658083

IUPAC1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1(C#N)CC1
InChIInChI=1S/C7H13N3O2S/c1-9(2)13(11,12)10(3)7(6-8)4-5-7/h4-5H2,1-3H3
InChIKeyANGZMRHRHFCILE-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.22
Rot. Bonds3

About 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile

1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile (PubChem CID 164658083) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile
PubChem CID164658083
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1(C#N)CC1
InChIInChI=1S/C7H13N3O2S/c1-9(2)13(11,12)10(3)7(6-8)4-5-7/h4-5H2,1-3H3
InChIKeyANGZMRHRHFCILE-UHFFFAOYSA-N
XLogP-0.22
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile (CID 164658083) is 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile is CN(C)S(=O)(=O)N(C)C1(C#N)CC1.
What is the InChIKey of 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile?
The InChIKey is ANGZMRHRHFCILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-9(2)13(11,12)10(3)7(6-8)4-5-7/h4-5H2,1-3H3.
What are the key properties of 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile?
1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile has a molecular weight of 203.27 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylsulfamoyl(methyl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164658083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).