butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide

C9H18F3N2O4S3- — CID 58963276

IUPACbutylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCS(=O)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18F3N2O4S3/c1-3-5-7-19(15)13-20(16,8-6-4-2)14-21(17,18)9(10,11)12/h3-8H2,1-2H3/q-1
InChIKeyYWNDLEZIAKDNDY-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.86
Rot. Bonds9

About butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide

butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (PubChem CID 58963276) has the molecular formula C9H18F3N2O4S3- and a molecular weight of 371.45 g/mol. Its IUPAC name is butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.

Molecular Properties

Compound Namebutylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
PubChem CID58963276
Molecular FormulaC9H18F3N2O4S3-
Molecular Weight371.45 g/mol
Exact Mass371.04
IUPAC Namebutylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCS(=O)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18F3N2O4S3/c1-3-5-7-19(15)13-20(16,8-6-4-2)14-21(17,18)9(10,11)12/h3-8H2,1-2H3/q-1
InChIKeyYWNDLEZIAKDNDY-UHFFFAOYSA-N
XLogP2.86
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The IUPAC name of butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (CID 58963276) is butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.
What is the SMILES notation for butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The canonical SMILES for butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is CCCCS(=O)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F.
What is the InChIKey of butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The InChIKey is YWNDLEZIAKDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N2O4S3/c1-3-5-7-19(15)13-20(16,8-6-4-2)14-21(17,18)9(10,11)12/h3-8H2,1-2H3/q-1.
What are the key properties of butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide has a molecular weight of 371.45 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is sourced from PubChem (CID 58963276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).