5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin

C19H36F3NO2SSn — CID 141455628

IUPAC5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin
SMILESC/C=C(/CCNS(=O)(=O)C(F)(F)F)[Sn]C(CCCC)(CCCC)CCCC
InChIInChI=1S/C13H27.C6H9F3NO2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-10-13(11,12)6(7,8)9;/h4-12H2,1-3H3;2,10H,4-5H2,1H3;
InChIKeyOKZAVDBRTDTHKR-UHFFFAOYSA-N
MW518.27 g/mol
LogP6.15
Rot. Bonds15

About 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin

5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin (PubChem CID 141455628) has the molecular formula C19H36F3NO2SSn and a molecular weight of 518.27 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin
PubChem CID141455628
Molecular FormulaC19H36F3NO2SSn
Molecular Weight518.27 g/mol
Exact Mass519.14
IUPAC Name5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin
SMILESC/C=C(/CCNS(=O)(=O)C(F)(F)F)[Sn]C(CCCC)(CCCC)CCCC
InChIInChI=1S/C13H27.C6H9F3NO2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-10-13(11,12)6(7,8)9;/h4-12H2,1-3H3;2,10H,4-5H2,1H3;
InChIKeyOKZAVDBRTDTHKR-UHFFFAOYSA-N
XLogP6.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.27
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin (CID 141455628) is 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin is C/C=C(/CCNS(=O)(=O)C(F)(F)F)[Sn]C(CCCC)(CCCC)CCCC.
What is the InChIKey of 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin?
The InChIKey is OKZAVDBRTDTHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H9F3NO2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-10-13(11,12)6(7,8)9;/h4-12H2,1-3H3;2,10H,4-5H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin?
5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin has a molecular weight of 518.27 g/mol, XLogP of 6.15, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[(Z)-5-(trifluoromethylsulfonylamino)pent-2-en-3-yl]tin is sourced from PubChem (CID 141455628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).