N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide

C11H25NO3S — CID 64591572

IUPACN-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-4-5-6-7-8-12(9-10-13)16(14,15)11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyZWFXGCFPZKMTNR-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.60
Rot. Bonds9

About N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide

N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide (PubChem CID 64591572) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide
PubChem CID64591572
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-4-5-6-7-8-12(9-10-13)16(14,15)11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyZWFXGCFPZKMTNR-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide (CID 64591572) is N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide is CCCCCCN(CCO)S(=O)(=O)C(C)C.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The InChIKey is ZWFXGCFPZKMTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-5-6-7-8-12(9-10-13)16(14,15)11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 64591572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).