2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide

C10H21NO4S — CID 177122851

IUPAC2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
SMILESCC(C)NC(=O)C(C)(O)CS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7(2)11-9(12)10(5,13)6-16(14,15)8(3)4/h7-8,13H,6H2,1-5H3,(H,11,12)
InChIKeyHJLKKRYRHMGZTF-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.09
Rot. Bonds5

About 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide

2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide (PubChem CID 177122851) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
PubChem CID177122851
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
SMILESCC(C)NC(=O)C(C)(O)CS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7(2)11-9(12)10(5,13)6-16(14,15)8(3)4/h7-8,13H,6H2,1-5H3,(H,11,12)
InChIKeyHJLKKRYRHMGZTF-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.09
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
2-hydroxy-2-methyl-3-methylsulfonyl-N-propan-2-ylpropanamide
CID 177122893
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)-2-methyl-2-methylsulfonylpropanamide
CID 65110398
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65110399
N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide
CID 65113821
N-(2-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 65115004
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 80520737

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide (CID 177122851) is 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide is CC(C)NC(=O)C(C)(O)CS(=O)(=O)C(C)C.
What is the InChIKey of 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide?
The InChIKey is HJLKKRYRHMGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-7(2)11-9(12)10(5,13)6-16(14,15)8(3)4/h7-8,13H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide?
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 0.09, 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-propan-2-yl-3-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 177122851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).