N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide

C7H18FNO2S2 — CID 174339591

IUPACN-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCS(C)(C)F)S(C)(=O)=O
InChIInChI=1S/C7H18FNO2S2/c1-9(13(4,10)11)6-5-7-12(2,3)8/h5-7H2,1-4H3
InChIKeyBDBFWHZATSFEHT-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.22
Rot. Bonds5

About N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide

N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide (PubChem CID 174339591) has the molecular formula C7H18FNO2S2 and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide
PubChem CID174339591
Molecular FormulaC7H18FNO2S2
Molecular Weight231.36 g/mol
Exact Mass231.08
IUPAC NameN-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCS(C)(C)F)S(C)(=O)=O
InChIInChI=1S/C7H18FNO2S2/c1-9(13(4,10)11)6-5-7-12(2,3)8/h5-7H2,1-4H3
InChIKeyBDBFWHZATSFEHT-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide (CID 174339591) is N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide is CN(CCCS(C)(C)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide?
The InChIKey is BDBFWHZATSFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18FNO2S2/c1-9(13(4,10)11)6-5-7-12(2,3)8/h5-7H2,1-4H3.
What are the key properties of N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide?
N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 174339591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).