N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide

C9H21FN2O2S — CID 119991410

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)CCCF
InChIInChI=1S/C9H21FN2O2S/c1-9(2,7-11)8-12(3)15(13,14)6-4-5-10/h4-8,11H2,1-3H3
InChIKeyXYKBIWCYKGGNHQ-UHFFFAOYSA-N
MW240.34 g/mol
LogP0.59
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide (PubChem CID 119991410) has the molecular formula C9H21FN2O2S and a molecular weight of 240.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide
PubChem CID119991410
Molecular FormulaC9H21FN2O2S
Molecular Weight240.34 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)CCCF
InChIInChI=1S/C9H21FN2O2S/c1-9(2,7-11)8-12(3)15(13,14)6-4-5-10/h4-8,11H2,1-3H3
InChIKeyXYKBIWCYKGGNHQ-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide (CID 119991410) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)CCCF.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide?
The InChIKey is XYKBIWCYKGGNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O2S/c1-9(2,7-11)8-12(3)15(13,14)6-4-5-10/h4-8,11H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide has a molecular weight of 240.34 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 119991410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).