2-methyl-N-(oxolan-2-ylsulfonyl)propanamide

C8H15NO4S — CID 66595002

IUPAC2-methyl-N-(oxolan-2-ylsulfonyl)propanamide
SMILESCC(C)C(=O)NS(=O)(=O)C1CCCO1
InChIInChI=1S/C8H15NO4S/c1-6(2)8(10)9-14(11,12)7-4-3-5-13-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyRDAKXGXCRMGLNW-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.22
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide

2-methyl-N-(oxolan-2-ylsulfonyl)propanamide (PubChem CID 66595002) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylsulfonyl)propanamide
PubChem CID66595002
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-methyl-N-(oxolan-2-ylsulfonyl)propanamide
SMILESCC(C)C(=O)NS(=O)(=O)C1CCCO1
InChIInChI=1S/C8H15NO4S/c1-6(2)8(10)9-14(11,12)7-4-3-5-13-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyRDAKXGXCRMGLNW-UHFFFAOYSA-N
XLogP0.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
CID 19176066
N-[3-imino-3-(oxolan-2-yl)propanoyl]-2-methylpropanamide
CID 91295514
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-methyl-N-propan-2-ylsulfonothioylpropanamide
CID 135195626
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide (CID 66595002) is 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide is CC(C)C(=O)NS(=O)(=O)C1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide?
The InChIKey is RDAKXGXCRMGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6(2)8(10)9-14(11,12)7-4-3-5-13-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide?
2-methyl-N-(oxolan-2-ylsulfonyl)propanamide has a molecular weight of 221.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylsulfonyl)propanamide is sourced from PubChem (CID 66595002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).