3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide

C8H18N2O4S — CID 166894535

IUPAC3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C(=O)NS(C)(=O)=O)C(C)O
InChIInChI=1S/C8H18N2O4S/c1-5(2)9-7(6(3)11)8(12)10-15(4,13)14/h5-7,9,11H,1-4H3,(H,10,12)
InChIKeyVEOSVXVVLABTKF-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.19
Rot. Bonds5

About 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide

3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide (PubChem CID 166894535) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide
PubChem CID166894535
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C(=O)NS(C)(=O)=O)C(C)O
InChIInChI=1S/C8H18N2O4S/c1-5(2)9-7(6(3)11)8(12)10-15(4,13)14/h5-7,9,11H,1-4H3,(H,10,12)
InChIKeyVEOSVXVVLABTKF-UHFFFAOYSA-N
XLogP-1.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-methylsulfonylbutanamide
CID 18336288
(2S,3R)-3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide;5-[methyl(propan-2-yl)amino]pentan-2-one;2-(propan-2-ylamino)ethanol;2-(propan-2-ylamino)propane-1,3-diol
CID 158995917
(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
CID 157133693
(4R,5S)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133698
(4S,5R)-5-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)hexan-3-one
CID 177276699
(5R)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133697
3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 134164851
(2S,3R)-3-hydroxy-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104964594
2-amino-N-methylsulfonylbutanamide
CID 103287489
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
CID 59170374

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide (CID 166894535) is 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide is CC(C)NC(C(=O)NS(C)(=O)=O)C(C)O.
What is the InChIKey of 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide?
The InChIKey is VEOSVXVVLABTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5(2)9-7(6(3)11)8(12)10-15(4,13)14/h5-7,9,11H,1-4H3,(H,10,12).
What are the key properties of 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide?
3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide has a molecular weight of 238.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methylsulfonyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 166894535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).