N-(2-hydroxyethyl)-2-methylsulfonylpropanamide

C6H13NO4S — CID 115582870

IUPACN-(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCO)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(12(2,10)11)6(9)7-3-4-8/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyONHGKSOBQZQKFH-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.47
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methylsulfonylpropanamide

N-(2-hydroxyethyl)-2-methylsulfonylpropanamide (PubChem CID 115582870) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfonylpropanamide
PubChem CID115582870
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCO)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(12(2,10)11)6(9)7-3-4-8/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyONHGKSOBQZQKFH-UHFFFAOYSA-N
XLogP-1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
N-methyl-2-methylsulfonylpropanamide
CID 54261132
3-methyl-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 115924085
N-(3-chloro-4-methoxybutyl)-2-methylsulfonylpropanamide
CID 106243933
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
CID 104522528
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
CID 104520531

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonylpropanamide (CID 115582870) is N-(2-hydroxyethyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfonylpropanamide is CC(C(=O)NCCO)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The InChIKey is ONHGKSOBQZQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(12(2,10)11)6(9)7-3-4-8/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide has a molecular weight of 195.24 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115582870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).