1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide

C18H36F3NO2SSn — CID 154070744

IUPAC1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide
SMILESCC=C(CCNS(=O)(=O)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9F3NO2S.3C4H9.Sn/c1-2-3-4-5-10-13(11,12)6(7,8)9;3*1-3-4-2;/h2,10H,4-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyYBFPTMNGQFERNH-UHFFFAOYSA-N
MW506.26 g/mol
LogP6.15
Rot. Bonds14

About 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide

1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide (PubChem CID 154070744) has the molecular formula C18H36F3NO2SSn and a molecular weight of 506.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide
PubChem CID154070744
Molecular FormulaC18H36F3NO2SSn
Molecular Weight506.26 g/mol
Exact Mass507.14
IUPAC Name1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide
SMILESCC=C(CCNS(=O)(=O)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9F3NO2S.3C4H9.Sn/c1-2-3-4-5-10-13(11,12)6(7,8)9;3*1-3-4-2;/h2,10H,4-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyYBFPTMNGQFERNH-UHFFFAOYSA-N
XLogP6.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.26
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide (CID 154070744) is 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide is CC=C(CCNS(=O)(=O)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide?
The InChIKey is YBFPTMNGQFERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3NO2S.3C4H9.Sn/c1-2-3-4-5-10-13(11,12)6(7,8)9;3*1-3-4-2;/h2,10H,4-5H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide has a molecular weight of 506.26 g/mol, XLogP of 6.15, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide is sourced from PubChem (CID 154070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).