N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide

C12H17NO4S — CID 103946356

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-18(16,17)8-7-12(15)13-11(9-14)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyUYSKGBOXEKUCCO-NSHDSACASA-N
MW271.34 g/mol
LogP0.27
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide (PubChem CID 103946356) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
PubChem CID103946356
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-18(16,17)8-7-12(15)13-11(9-14)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyUYSKGBOXEKUCCO-NSHDSACASA-N
XLogP0.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29139997
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide (CID 103946356) is N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide?
The InChIKey is UYSKGBOXEKUCCO-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO4S/c1-18(16,17)8-7-12(15)13-11(9-14)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide has a molecular weight of 271.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 103946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).