2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile

C6H11N3O2S — CID 114807936

IUPAC2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile
SMILESCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C6H11N3O2S/c1-8-12(10,11)9-6(4-7)5-2-3-5/h5-6,8-9H,2-3H2,1H3
InChIKeyPDIJYRXQQVAFJJ-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.66
Rot. Bonds4

About 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile

2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile (PubChem CID 114807936) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile
PubChem CID114807936
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile
SMILESCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C6H11N3O2S/c1-8-12(10,11)9-6(4-7)5-2-3-5/h5-6,8-9H,2-3H2,1H3
InChIKeyPDIJYRXQQVAFJJ-UHFFFAOYSA-N
XLogP-0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807932
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclopropane
CID 64424992
N-[cyano(cyclopropyl)methyl]methanesulfonamide
CID 64425394
[Cyano-(diethylsulfamoylamino)methyl]cyclopropane
CID 64425788
1-Cyano-1-(dimethylsulfamoylamino)-2-methylpropane
CID 64425965
[Cyano-(dimethylsulfamoylamino)methyl]cyclopropane
CID 64426765
1-Ethyl-2-(sulfamoylamino)cyclopropane
CID 103670115
3-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 104538457
1-(Sulfamoylamino)ethylcyclopropane
CID 112684196
3-(Cyclopropylsulfamoylamino)butanenitrile
CID 114383114
5-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114383199
4-(Cyclopropylsulfamoylamino)butanenitrile
CID 114389435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile (CID 114807936) is 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile is CNS(=O)(=O)NC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile?
The InChIKey is PDIJYRXQQVAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-8-12(10,11)9-6(4-7)5-2-3-5/h5-6,8-9H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile?
2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile has a molecular weight of 189.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).