1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide

C9H20FNOS2 — CID 126549643

IUPAC1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide
SMILESCC(C)CSCC(F)S(=O)NC(C)C
InChIInChI=1S/C9H20FNOS2/c1-7(2)5-13-6-9(10)14(12)11-8(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCQVSSKTYHASWGP-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.33
Rot. Bonds7

About 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide

1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide (PubChem CID 126549643) has the molecular formula C9H20FNOS2 and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide.

Molecular Properties

Compound Name1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide
PubChem CID126549643
Molecular FormulaC9H20FNOS2
Molecular Weight241.40 g/mol
Exact Mass241.10
IUPAC Name1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide
SMILESCC(C)CSCC(F)S(=O)NC(C)C
InChIInChI=1S/C9H20FNOS2/c1-7(2)5-13-6-9(10)14(12)11-8(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCQVSSKTYHASWGP-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide?
The IUPAC name of 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide (CID 126549643) is 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide.
What is the SMILES notation for 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide?
The canonical SMILES for 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide is CC(C)CSCC(F)S(=O)NC(C)C.
What is the InChIKey of 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide?
The InChIKey is CQVSSKTYHASWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNOS2/c1-7(2)5-13-6-9(10)14(12)11-8(3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide?
1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide has a molecular weight of 241.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide is sourced from PubChem (CID 126549643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).