N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide

C11H25NO4S — CID 113347924

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H25NO4S/c1-11(2,6-4-7-13)10-12-17(14,15)9-5-8-16-3/h12-13H,4-10H2,1-3H3
InChIKeyODAICRMUJDOGRG-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.74
Rot. Bonds10

About N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide (PubChem CID 113347924) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
PubChem CID113347924
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H25NO4S/c1-11(2,6-4-7-13)10-12-17(14,15)9-5-8-16-3/h12-13H,4-10H2,1-3H3
InChIKeyODAICRMUJDOGRG-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103896608
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide (CID 113347924) is N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is ODAICRMUJDOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,6-4-7-13)10-12-17(14,15)9-5-8-16-3/h12-13H,4-10H2,1-3H3.
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 113347924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).