2-(tert-butylsulfamoylamino)propanenitrile

C7H15N3O2S — CID 114807665

IUPAC2-(tert-butylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O2S/c1-6(5-8)9-13(11,12)10-7(2,3)4/h6,9-10H,1-4H3
InChIKeyVFCCZPDVOOIQBG-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds3

About 2-(tert-butylsulfamoylamino)propanenitrile

2-(tert-butylsulfamoylamino)propanenitrile (PubChem CID 114807665) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)propanenitrile
PubChem CID114807665
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-(tert-butylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O2S/c1-6(5-8)9-13(11,12)10-7(2,3)4/h6,9-10H,1-4H3
InChIKeyVFCCZPDVOOIQBG-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)propanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)propanenitrile (CID 114807665) is 2-(tert-butylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)propanenitrile is CC(C#N)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)propanenitrile?
The InChIKey is VFCCZPDVOOIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-6(5-8)9-13(11,12)10-7(2,3)4/h6,9-10H,1-4H3.
What are the key properties of 2-(tert-butylsulfamoylamino)propanenitrile?
2-(tert-butylsulfamoylamino)propanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).