N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide

C7H15NO4S — CID 79030616

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
SMILESC[C@H](CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(5-9)8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyPBLAIQGZHMAOFY-ZCFIWIBFSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide

N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide (PubChem CID 79030616) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
PubChem CID79030616
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
SMILESC[C@H](CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(5-9)8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyPBLAIQGZHMAOFY-ZCFIWIBFSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
CID 79252567
methyl 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoate
CID 43623416
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
3-methyl-4-(3-methylsulfonylpropanoylamino)butanoic acid
CID 81063279
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide (CID 79030616) is N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide is C[C@H](CO)NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide?
The InChIKey is PBLAIQGZHMAOFY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(5-9)8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 79030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).