3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile

C8H15N3O2S — CID 114388294

IUPAC3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-8(2,5-9)6-10-14(12,13)11-7-3-4-7/h7,10-11H,3-4,6H2,1-2H3
InChIKeyYGJDXACWYAGHKE-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.12
Rot. Bonds5

About 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile

3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile (PubChem CID 114388294) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile
PubChem CID114388294
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-8(2,5-9)6-10-14(12,13)11-7-3-4-7/h7,10-11H,3-4,6H2,1-2H3
InChIKeyYGJDXACWYAGHKE-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile (CID 114388294) is 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile is CC(C)(C#N)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile?
The InChIKey is YGJDXACWYAGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-8(2,5-9)6-10-14(12,13)11-7-3-4-7/h7,10-11H,3-4,6H2,1-2H3.
What are the key properties of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile?
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile has a molecular weight of 217.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 114388294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).