N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide

C10H19NO5S — CID 104630382

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-8(17(2,14)15)9(13)11-10(7-12)3-5-16-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyRJVWPCJRTNDPQP-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.92
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide (PubChem CID 104630382) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
PubChem CID104630382
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-8(17(2,14)15)9(13)11-10(7-12)3-5-16-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyRJVWPCJRTNDPQP-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-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113435046
1-(2-methylsulfonylpropanoylamino)cyclobutane-1-carboxylic acid
CID 115910149
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
CID 114170260
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 171679438
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylsulfonylpropanamide
CID 104522425

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide (CID 104630382) is N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide is CC(C(=O)NC1(CO)CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide?
The InChIKey is RJVWPCJRTNDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(17(2,14)15)9(13)11-10(7-12)3-5-16-6-4-10/h8,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-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-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104630382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).