N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide

C9H21NO4S — CID 115902698

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C9H21NO4S/c1-9(2,8-11)10(3)15(12,13)7-5-6-14-4/h11H,5-8H2,1-4H3
InChIKeyYNQLGLPAQPDEAG-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.06
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 115902698) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID115902698
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C9H21NO4S/c1-9(2,8-11)10(3)15(12,13)7-5-6-14-4/h11H,5-8H2,1-4H3
InChIKeyYNQLGLPAQPDEAG-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
CID 164644258
3-[3-methoxypropylsulfonyl(methyl)amino]propanethioamide
CID 63290273
2-[2-(dimethylamino)ethyl-(3-methoxypropylsulfonyl)amino]acetic acid
CID 103862479
N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 104556392
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
3-methoxypropane-1-sulfonyl fluoride
CID 46899852
3-methoxypropane-1-sulfonamide
CID 22737399

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide (CID 115902698) is N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)C(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is YNQLGLPAQPDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(2,8-11)10(3)15(12,13)7-5-6-14-4/h11H,5-8H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 115902698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).