N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide

C11H23NO4S — CID 81131180

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-10(2,3)9-17(14,15)12-8-11(13)4-6-16-7-5-11/h12-13H,4-9H2,1-3H3
InChIKeyIKDHSJVCKIIICL-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.49
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 81131180) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide
PubChem CID81131180
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-10(2,3)9-17(14,15)12-8-11(13)4-6-16-7-5-11/h12-13H,4-9H2,1-3H3
InChIKeyIKDHSJVCKIIICL-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 56765216
N-[4-(bromomethyl)oxan-4-yl]-2,2-dimethylpropane-1-sulfonamide
CID 106301330
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
5-amino-4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 114625964
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 81130918
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81133871
N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 79039871

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide (CID 81131180) is N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is IKDHSJVCKIIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2,3)9-17(14,15)12-8-11(13)4-6-16-7-5-11/h12-13H,4-9H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 81131180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).