N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide

C10H23NO4S — CID 107202989

IUPACN-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C10H23NO4S/c1-11(7-4-3-5-8-12)16(13,14)10-6-9-15-2/h12H,3-10H2,1-2H3
InChIKeyBTOQBMVQJBDTSJ-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.45
Rot. Bonds10

About N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide

N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 107202989) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID107202989
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C10H23NO4S/c1-11(7-4-3-5-8-12)16(13,14)10-6-9-15-2/h12H,3-10H2,1-2H3
InChIKeyBTOQBMVQJBDTSJ-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.45
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide (CID 107202989) is N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is BTOQBMVQJBDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-11(7-4-3-5-8-12)16(13,14)10-6-9-15-2/h12H,3-10H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide?
N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 107202989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).