sodium butylsulfonylazanide

C4H10NNaO2S — CID 15484971

IUPACsodium butylsulfonylazanide
SMILESCCCCS([NH-])(=O)=O.[Na+]
InChIInChI=1S/C4H10NO2S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H-,5,6,7);/q-1;+1
InChIKeyGVLBUNDJDINAGE-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.83
Rot. Bonds3

About sodium butylsulfonylazanide

sodium butylsulfonylazanide (PubChem CID 15484971) has the molecular formula C4H10NNaO2S and a molecular weight of 159.19 g/mol. Its IUPAC name is sodium butylsulfonylazanide.

Molecular Properties

Compound Namesodium butylsulfonylazanide
PubChem CID15484971
Molecular FormulaC4H10NNaO2S
Molecular Weight159.19 g/mol
Exact Mass159.03
IUPAC Namesodium butylsulfonylazanide
SMILESCCCCS([NH-])(=O)=O.[Na+]
InChIInChI=1S/C4H10NO2S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H-,5,6,7);/q-1;+1
InChIKeyGVLBUNDJDINAGE-UHFFFAOYSA-N
XLogP-1.83
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium butylsulfonylazanide?
The IUPAC name of sodium butylsulfonylazanide (CID 15484971) is sodium butylsulfonylazanide.
What is the SMILES notation for sodium butylsulfonylazanide?
The canonical SMILES for sodium butylsulfonylazanide is CCCCS([NH-])(=O)=O.[Na+].
What is the InChIKey of sodium butylsulfonylazanide?
The InChIKey is GVLBUNDJDINAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H-,5,6,7);/q-1;+1.
What are the key properties of sodium butylsulfonylazanide?
sodium butylsulfonylazanide has a molecular weight of 159.19 g/mol, XLogP of -1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium butylsulfonylazanide is sourced from PubChem (CID 15484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).