2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile

C7H13N3O2S — CID 114807935

IUPAC2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile
SMILESCCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C7H13N3O2S/c1-2-9-13(11,12)10-7(5-8)6-3-4-6/h6-7,9-10H,2-4H2,1H3
InChIKeyALJBKOUJWBRMIA-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.27
Rot. Bonds5

About 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile

2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile (PubChem CID 114807935) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile
PubChem CID114807935
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile
SMILESCCNS(=O)(=O)NC(C#N)C1CC1
InChIInChI=1S/C7H13N3O2S/c1-2-9-13(11,12)10-7(5-8)6-3-4-6/h6-7,9-10H,2-4H2,1H3
InChIKeyALJBKOUJWBRMIA-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.27
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-(ethylsulfamoylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile (CID 114807935) is 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile is CCNS(=O)(=O)NC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile?
The InChIKey is ALJBKOUJWBRMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-9-13(11,12)10-7(5-8)6-3-4-6/h6-7,9-10H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile?
2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile has a molecular weight of 203.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).