2-cyano-2-(dimethylsulfamoylamino)butane

C7H15N3O2S — CID 61124900

IUPAC2-cyano-2-(dimethylsulfamoylamino)butane
SMILESCCC(C)(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-5-7(2,6-8)9-13(11,12)10(3)4/h9H,5H2,1-4H3
InChIKeyNAXCHCKGLILDTR-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.07
Rot. Bonds4

About 2-cyano-2-(dimethylsulfamoylamino)butane

2-cyano-2-(dimethylsulfamoylamino)butane (PubChem CID 61124900) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-cyano-2-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name2-cyano-2-(dimethylsulfamoylamino)butane
PubChem CID61124900
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-cyano-2-(dimethylsulfamoylamino)butane
SMILESCCC(C)(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-5-7(2,6-8)9-13(11,12)10(3)4/h9H,5H2,1-4H3
InChIKeyNAXCHCKGLILDTR-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(dimethylsulfamoylamino)butane?
The IUPAC name of 2-cyano-2-(dimethylsulfamoylamino)butane (CID 61124900) is 2-cyano-2-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 2-cyano-2-(dimethylsulfamoylamino)butane?
The canonical SMILES for 2-cyano-2-(dimethylsulfamoylamino)butane is CCC(C)(C#N)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-cyano-2-(dimethylsulfamoylamino)butane?
The InChIKey is NAXCHCKGLILDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5-7(2,6-8)9-13(11,12)10(3)4/h9H,5H2,1-4H3.
What are the key properties of 2-cyano-2-(dimethylsulfamoylamino)butane?
2-cyano-2-(dimethylsulfamoylamino)butane has a molecular weight of 205.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 61124900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).