N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide

C8H18F2N2O2S — CID 165444505

IUPACN-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)(N)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-6-15(13,14)12-5-4-8(2,11)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyRJXIPWNPCLWJMJ-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.69
Rot. Bonds7

About N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide

N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide (PubChem CID 165444505) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide
PubChem CID165444505
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)(N)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-6-15(13,14)12-5-4-8(2,11)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyRJXIPWNPCLWJMJ-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide (CID 165444505) is N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCC(C)(N)C(F)F.
What is the InChIKey of N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide?
The InChIKey is RJXIPWNPCLWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-3-6-15(13,14)12-5-4-8(2,11)7(9)10/h7,12H,3-6,11H2,1-2H3.
What are the key properties of N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide?
N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 165444505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).