N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide

C8H19NO4S — CID 63289872

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H19NO4S/c1-8(2,7-10)9-14(11,12)6-4-5-13-3/h9-10H,4-7H2,1-3H3
InChIKeyNVEDPHJQXGBFRM-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.29
Rot. Bonds7

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

N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide (PubChem CID 63289872) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
PubChem CID63289872
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H19NO4S/c1-8(2,7-10)9-14(11,12)6-4-5-13-3/h9-10H,4-7H2,1-3H3
InChIKeyNVEDPHJQXGBFRM-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.29
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-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
3,3,3-trifluoro-2-(3-methoxypropylsulfonylamino)-2-methylpropanoic acid
CID 79793191
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 114293791
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
methyl 3-methoxypropane-1-sulfonate
CID 59109575
(1-hydroxy-2-methylpropan-2-yl)sulfamic acid
CID 174221207
N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
CID 115617292
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide (CID 63289872) is N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide?
The InChIKey is NVEDPHJQXGBFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-8(2,7-10)9-14(11,12)6-4-5-13-3/h9-10H,4-7H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 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-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63289872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).