2-(methylsulfamoylamino)pentanenitrile

C6H13N3O2S — CID 114807684

IUPAC2-(methylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC
InChIInChI=1S/C6H13N3O2S/c1-3-4-6(5-7)9-12(10,11)8-2/h6,8-9H,3-4H2,1-2H3
InChIKeyRQSYMUQQTBDDGU-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.27
Rot. Bonds5

About 2-(methylsulfamoylamino)pentanenitrile

2-(methylsulfamoylamino)pentanenitrile (PubChem CID 114807684) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name2-(methylsulfamoylamino)pentanenitrile
PubChem CID114807684
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(methylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC
InChIInChI=1S/C6H13N3O2S/c1-3-4-6(5-7)9-12(10,11)8-2/h6,8-9H,3-4H2,1-2H3
InChIKeyRQSYMUQQTBDDGU-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)pentanenitrile?
The IUPAC name of 2-(methylsulfamoylamino)pentanenitrile (CID 114807684) is 2-(methylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 2-(methylsulfamoylamino)pentanenitrile?
The canonical SMILES for 2-(methylsulfamoylamino)pentanenitrile is CCCC(C#N)NS(=O)(=O)NC.
What is the InChIKey of 2-(methylsulfamoylamino)pentanenitrile?
The InChIKey is RQSYMUQQTBDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-3-4-6(5-7)9-12(10,11)8-2/h6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-(methylsulfamoylamino)pentanenitrile?
2-(methylsulfamoylamino)pentanenitrile has a molecular weight of 191.26 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-(methylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114807684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).