2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride

C7H16ClFN2O3S — CID 129050816

IUPAC2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
SMILESCC(C)(F)CC(N)C(=O)NS(C)(=O)=O.Cl
InChIInChI=1S/C7H15FN2O3S.ClH/c1-7(2,8)4-5(9)6(11)10-14(3,12)13;/h5H,4,9H2,1-3H3,(H,10,11);1H
InChIKeyGTILMTPCHPKXEC-UHFFFAOYSA-N
MW262.73 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride

2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride (PubChem CID 129050816) has the molecular formula C7H16ClFN2O3S and a molecular weight of 262.73 g/mol. Its IUPAC name is 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
PubChem CID129050816
Molecular FormulaC7H16ClFN2O3S
Molecular Weight262.73 g/mol
Exact Mass262.06
IUPAC Name2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
SMILESCC(C)(F)CC(N)C(=O)NS(C)(=O)=O.Cl
InChIInChI=1S/C7H15FN2O3S.ClH/c1-7(2,8)4-5(9)6(11)10-14(3,12)13;/h5H,4,9H2,1-3H3,(H,10,11);1H
InChIKeyGTILMTPCHPKXEC-UHFFFAOYSA-N
XLogP-0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
CID 129061059
2-amino-N-methylsulfonylbutanamide
CID 103287489
(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
CID 166436303
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
CID 71743234
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564
2-methyl-N-methylsulfonylbutanamide
CID 18336288
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
CID 59170374
2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
methyl (2S)-2-amino-5,5,5-trideuterio-4-fluoro-4-(trideuteriomethyl)pentanoate;hydrochloride
CID 141482288
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride?
The IUPAC name of 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride (CID 129050816) is 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride is CC(C)(F)CC(N)C(=O)NS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride?
The InChIKey is GTILMTPCHPKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O3S.ClH/c1-7(2,8)4-5(9)6(11)10-14(3,12)13;/h5H,4,9H2,1-3H3,(H,10,11);1H.
What are the key properties of 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride?
2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride is sourced from PubChem (CID 129050816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).