2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile

C8H15N3O2S — CID 114807933

IUPAC2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile
SMILESCCCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-8(6-9)7-3-4-7/h7-8,10-11H,2-5H2,1H3
InChIKeyMFHRZZFURXILNZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.12
Rot. Bonds6

About 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile

2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile (PubChem CID 114807933) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile
PubChem CID114807933
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile
SMILESCCCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-8(6-9)7-3-4-7/h7-8,10-11H,2-5H2,1H3
InChIKeyMFHRZZFURXILNZ-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[Cyano-(dimethylsulfamoylamino)methyl]cyclopropane
CID 64426765
N-[cyano(cyclopropyl)methyl]-2-methylpropane-2-sulfonamide
CID 64427166
1-Ethyl-2-(sulfamoylamino)cyclopropane
CID 103670115
3-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 104538457
N'-(1-Cyano-3-methylbutyl)-N,N-dimethylsulfuric diamide
CID 112464757
1-(Sulfamoylamino)ethylcyclopropane
CID 112684196
5-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114383199
N-(2-ethylbutylsulfamoyl)cyclopropanamine
CID 114383206

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile (CID 114807933) is 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile is CCCNS(=O)(=O)NC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile?
The InChIKey is MFHRZZFURXILNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-8(6-9)7-3-4-7/h7-8,10-11H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile?
2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile has a molecular weight of 217.29 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).