N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide

C10H19NO5S — CID 107302161

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
SMILESCC1OCCC1(O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-7(17(3,14)15)9(12)11-6-10(13)4-5-16-8(10)2/h7-8,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyRGUOCXRAHBAARN-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.92
Rot. Bonds4

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide (PubChem CID 107302161) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
PubChem CID107302161
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
SMILESCC1OCCC1(O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-7(17(3,14)15)9(12)11-6-10(13)4-5-16-8(10)2/h7-8,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyRGUOCXRAHBAARN-UHFFFAOYSA-N
XLogP-0.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
CID 107301902

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide (CID 107302161) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide is CC1OCCC1(O)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is RGUOCXRAHBAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-7(17(3,14)15)9(12)11-6-10(13)4-5-16-8(10)2/h7-8,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 265.33 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 107302161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).