N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide

C10H20FNO2S — CID 134298732

IUPACN-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
SMILESCCNC(=O)CCS(=O)CCC(C)(C)F
InChIInChI=1S/C10H20FNO2S/c1-4-12-9(13)5-7-15(14)8-6-10(2,3)11/h4-8H2,1-3H3,(H,12,13)
InChIKeyVFHHDLUMPZRZOQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.40
Rot. Bonds7

About N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide

N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide (PubChem CID 134298732) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
PubChem CID134298732
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC NameN-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
SMILESCCNC(=O)CCS(=O)CCC(C)(C)F
InChIInChI=1S/C10H20FNO2S/c1-4-12-9(13)5-7-15(14)8-6-10(2,3)11/h4-8H2,1-3H3,(H,12,13)
InChIKeyVFHHDLUMPZRZOQ-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide?
The IUPAC name of N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide (CID 134298732) is N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide.
What is the SMILES notation for N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide?
The canonical SMILES for N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide is CCNC(=O)CCS(=O)CCC(C)(C)F.
What is the InChIKey of N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide?
The InChIKey is VFHHDLUMPZRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-4-12-9(13)5-7-15(14)8-6-10(2,3)11/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide?
N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide has a molecular weight of 237.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide is sourced from PubChem (CID 134298732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).