N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide

C8H18FNOS2 — CID 148720890

IUPACN-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide
SMILESCCNS(=O)C(F)CSCC(C)C
InChIInChI=1S/C8H18FNOS2/c1-4-10-13(11)8(9)6-12-5-7(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyNZBCUKHDLUPZKT-UHFFFAOYSA-N
MW227.37 g/mol
LogP1.94
Rot. Bonds7

About N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide

N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide (PubChem CID 148720890) has the molecular formula C8H18FNOS2 and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide.

Molecular Properties

Compound NameN-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide
PubChem CID148720890
Molecular FormulaC8H18FNOS2
Molecular Weight227.37 g/mol
Exact Mass227.08
IUPAC NameN-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide
SMILESCCNS(=O)C(F)CSCC(C)C
InChIInChI=1S/C8H18FNOS2/c1-4-10-13(11)8(9)6-12-5-7(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyNZBCUKHDLUPZKT-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide
CID 126549643
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide
CID 167117121
3-(3-Fluoropropylsulfinyl)butan-1-amine
CID 81194065
3-(3-Fluoropropylsulfonyl)-2-methylpropan-1-amine
CID 81198496
2-Methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
CID 81200646
3-(2,2-Difluoroethylsulfinyl)-2-methylpropan-1-amine
CID 81201284
3-(3-Fluoropropylsulfinyl)-2-methylpropan-1-amine
CID 81201575
2-Methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
CID 81201826
3-(2-Fluoroethylsulfinyl)-2-methylpropan-1-amine
CID 81202155
3-Tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine
CID 81328435
4,4,4-Trifluoro-3-(2-methylpropylsulfinyl)butan-1-amine
CID 81328960
2-(Butan-2-ylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide?
The IUPAC name of N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide (CID 148720890) is N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide.
What is the SMILES notation for N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide?
The canonical SMILES for N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide is CCNS(=O)C(F)CSCC(C)C.
What is the InChIKey of N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide?
The InChIKey is NZBCUKHDLUPZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNOS2/c1-4-10-13(11)8(9)6-12-5-7(2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide?
N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide has a molecular weight of 227.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluoro-2-(2-methylpropylsulfanyl)ethanesulfinamide is sourced from PubChem (CID 148720890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).