N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide

C11H23NO4S — CID 114170260

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-10(2)3-8-17(14,15)12-11(9-13)4-6-16-7-5-11/h10,12-13H,3-9H2,1-2H3
InChIKeyZXZPRHHEDZJTJM-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.49
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide (PubChem CID 114170260) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
PubChem CID114170260
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-10(2)3-8-17(14,15)12-11(9-13)4-6-16-7-5-11/h10,12-13H,3-9H2,1-2H3
InChIKeyZXZPRHHEDZJTJM-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
CID 114293779
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
[4-(cyclopropylsulfamoylamino)oxan-4-yl]methanol
CID 106299127
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
CID 103713940
N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521346
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide (CID 114170260) is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide?
The InChIKey is ZXZPRHHEDZJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2)3-8-17(14,15)12-11(9-13)4-6-16-7-5-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 114170260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).