2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide

C8H17NO4S — CID 103429821

IUPAC2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide
SMILESCC(C)(O)C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,11)7(10)9-5-4-6-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyWOXMUBFNNNJEEZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds5

About 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide

2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide (PubChem CID 103429821) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide
PubChem CID103429821
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide
SMILESCC(C)(O)C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,11)7(10)9-5-4-6-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyWOXMUBFNNNJEEZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide
CID 65106167
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)-3-methylsulfanylpropanamide
CID 65109966
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65110398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide (CID 103429821) is 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide is CC(C)(O)C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
The InChIKey is WOXMUBFNNNJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,11)7(10)9-5-4-6-14(3,12)13/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide 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 2-hydroxy-2-methyl-N-(3-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 103429821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).