N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide

C10H23NO4S — CID 65112782

IUPACN-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCOC
InChIInChI=1S/C10H23NO4S/c1-4-10(12,5-2)9-11-16(13,14)8-6-7-15-3/h11-12H,4-9H2,1-3H3
InChIKeyDMICJBOBECQHBL-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.49
Rot. Bonds9

About N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide

N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide (PubChem CID 65112782) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide
PubChem CID65112782
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCOC
InChIInChI=1S/C10H23NO4S/c1-4-10(12,5-2)9-11-16(13,14)8-6-7-15-3/h11-12H,4-9H2,1-3H3
InChIKeyDMICJBOBECQHBL-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide (CID 65112782) is N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide is CCC(O)(CC)CNS(=O)(=O)CCCOC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is DMICJBOBECQHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-4-10(12,5-2)9-11-16(13,14)8-6-7-15-3/h11-12H,4-9H2,1-3H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide?
N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 65112782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).