N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide

C9H19NO4S — CID 65110398

IUPACN-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(2,12)6-10-7(11)9(3,4)15(5,13)14/h12H,6H2,1-5H3,(H,10,11)
InChIKeyFGYSCNHVFGKNER-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65110398) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID65110398
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(2,12)6-10-7(11)9(3,4)15(5,13)14/h12H,6H2,1-5H3,(H,10,11)
InChIKeyFGYSCNHVFGKNER-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-hydroxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 64018137
N-(1-hydroxypropan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 64018138
N-(2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 64018139
2-methyl-2-methylsulfonyl-N-propylpropanamide
CID 64090512
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)-2-methylsulfonylacetamide
CID 65110399
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
CID 65112284
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
CID 65112285

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide (CID 65110398) is N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is FGYSCNHVFGKNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2,12)6-10-7(11)9(3,4)15(5,13)14/h12H,6H2,1-5H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65110398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).