N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide

C11H23NO4S — CID 102847521

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H23NO4S/c1-16-9-4-10-17(14,15)12(7-3-8-13)11-5-2-6-11/h11,13H,2-10H2,1H3
InChIKeyGNUAHLFIXGPHIQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.59
Rot. Bonds9

About N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide (PubChem CID 102847521) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
PubChem CID102847521
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H23NO4S/c1-16-9-4-10-17(14,15)12(7-3-8-13)11-5-2-6-11/h11,13H,2-10H2,1H3
InChIKeyGNUAHLFIXGPHIQ-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.59
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

N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide
CID 102847488
N-(3-hydroxypropyl)-N-propan-2-ylpropane-1-sulfonamide
CID 61038949
N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide
CID 61038950
N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide
CID 61038951
N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide
CID 61040394
Methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]acetate
CID 61456695
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 61609008
N-(3-hydroxypropyl)-2-methylsulfonyl-N-propan-2-ylethanesulfonamide
CID 63243316
2-ethoxy-N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide
CID 63246300
N-(3-hydroxypropyl)-3-methoxy-N-propan-2-ylpropane-1-sulfonamide
CID 63290104
N-(3-hydroxypropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
CID 64479827
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropane-1-sulfonamide
CID 64479828

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide (CID 102847521) is N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is GNUAHLFIXGPHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-16-9-4-10-17(14,15)12(7-3-8-13)11-5-2-6-11/h11,13H,2-10H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 102847521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).