N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide

C8H17NO4S — CID 104936925

IUPACN-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)(C)O
InChIInChI=1S/C8H17NO4S/c1-4-14(12,13)6-5-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyZKHQKDCEFPVODH-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide

N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide (PubChem CID 104936925) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide
PubChem CID104936925
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)(C)O
InChIInChI=1S/C8H17NO4S/c1-4-14(12,13)6-5-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyZKHQKDCEFPVODH-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013536
(2R)-2-hydroxy-N,2-dimethyl-3-methylsulfonylpropanamide
CID 129013537
N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 176706435
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
CID 177122851
2-hydroxy-2-methyl-3-methylsulfonyl-N-propan-2-ylpropanamide
CID 177122893
N-(2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 64018139
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109525
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 65109700
N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide
CID 65109822
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65110398
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65110399
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
CID 65112285

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide (CID 104936925) is N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide is CCS(=O)(=O)CCNC(=O)C(C)(C)O.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is ZKHQKDCEFPVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-14(12,13)6-5-9-7(10)8(2,3)11/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide?
N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 223.29 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 104936925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).