(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

C7H14ClF3N2O3S — CID 130236375

IUPAC(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCS(=O)(=O)CC[C@@H](N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2O3S.ClH/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m1./s1
InChIKeySYIZAVIIEKIIGI-NUBCRITNSA-N
MW298.71 g/mol
LogP-0.15
Rot. Bonds5

About (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (PubChem CID 130236375) has the molecular formula C7H14ClF3N2O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
PubChem CID130236375
Molecular FormulaC7H14ClF3N2O3S
Molecular Weight298.71 g/mol
Exact Mass298.04
IUPAC Name(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCS(=O)(=O)CC[C@@H](N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2O3S.ClH/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m1./s1
InChIKeySYIZAVIIEKIIGI-NUBCRITNSA-N
XLogP-0.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (CID 130236375) is (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is CS(=O)(=O)CC[C@@H](N)C(=O)NCC(F)(F)F.Cl.
What is the InChIKey of (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The InChIKey is SYIZAVIIEKIIGI-NUBCRITNSA-N. The full InChI is InChI=1S/C7H13F3N2O3S.ClH/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride has a molecular weight of 298.71 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is sourced from PubChem (CID 130236375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).