N-(5-hydroxypentyl)-N-methylethanesulfonamide

C8H19NO3S — CID 104601040

IUPACN-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C8H19NO3S/c1-3-13(11,12)9(2)7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyCNDYVFRFTFEGKT-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methylethanesulfonamide

N-(5-hydroxypentyl)-N-methylethanesulfonamide (PubChem CID 104601040) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylethanesulfonamide
PubChem CID104601040
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C8H19NO3S/c1-3-13(11,12)9(2)7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyCNDYVFRFTFEGKT-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
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-(5-hydroxypentyl)-N-methylethanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylethanesulfonamide (CID 104601040) is N-(5-hydroxypentyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The InChIKey is CNDYVFRFTFEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-13(11,12)9(2)7-5-4-6-8-10/h10H,3-8H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylethanesulfonamide?
N-(5-hydroxypentyl)-N-methylethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylethanesulfonamide is sourced from PubChem (CID 104601040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).