2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide

C8H16F2N2O4S — CID 106176637

IUPAC2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H16F2N2O4S/c1-17(15,16)3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyGIQLPOKPXUPPJY-UHFFFAOYSA-N
MW274.29 g/mol
LogP-1.51
Rot. Bonds7

About 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide

2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide (PubChem CID 106176637) has the molecular formula C8H16F2N2O4S and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide
PubChem CID106176637
Molecular FormulaC8H16F2N2O4S
Molecular Weight274.29 g/mol
Exact Mass274.08
IUPAC Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H16F2N2O4S/c1-17(15,16)3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyGIQLPOKPXUPPJY-UHFFFAOYSA-N
XLogP-1.51
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
tert-butyl-[(2R)-4-methylsulfonyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 130236589
Tert-butyl-[4-methylsulfonyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 130236598
2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009324
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60946029
2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 60946809
2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 60947327
2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide
CID 63227382
2-amino-4-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63827588

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide (CID 106176637) is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCC(F)(F)CO.
What is the InChIKey of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide?
The InChIKey is GIQLPOKPXUPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O4S/c1-17(15,16)3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide has a molecular weight of 274.29 g/mol, XLogP of -1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 106176637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).