N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide

C11H25NO4S — CID 113249315

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-11(2,3)8-10(13)9-12-17(14,15)7-5-6-16-4/h10,12-13H,5-9H2,1-4H3
InChIKeyYFOJKRNOSPEEKN-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.74
Rot. Bonds8

About N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide (PubChem CID 113249315) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
PubChem CID113249315
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-11(2,3)8-10(13)9-12-17(14,15)7-5-6-16-4/h10,12-13H,5-9H2,1-4H3
InChIKeyYFOJKRNOSPEEKN-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103850449
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide (CID 113249315) is N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is YFOJKRNOSPEEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,3)8-10(13)9-12-17(14,15)7-5-6-16-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 113249315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).