N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide

C9H21NO3S — CID 89402753

IUPACN-ethyl-5-methoxy-N-methylpentane-1-sulfonamide
SMILESCCN(C)S(=O)(=O)CCCCCOC
InChIInChI=1S/C9H21NO3S/c1-4-10(2)14(11,12)9-7-5-6-8-13-3/h4-9H2,1-3H3
InChIKeyHLGVIKSVLBHOLX-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.08
Rot. Bonds8

About N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide

N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide (PubChem CID 89402753) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-N-methylpentane-1-sulfonamide
PubChem CID89402753
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-5-methoxy-N-methylpentane-1-sulfonamide
SMILESCCN(C)S(=O)(=O)CCCCCOC
InChIInChI=1S/C9H21NO3S/c1-4-10(2)14(11,12)9-7-5-6-8-13-3/h4-9H2,1-3H3
InChIKeyHLGVIKSVLBHOLX-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
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-ethyl-5-methoxy-N-methylpentane-1-sulfonamide?
The IUPAC name of N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide (CID 89402753) is N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide.
What is the SMILES notation for N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide?
The canonical SMILES for N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide is CCN(C)S(=O)(=O)CCCCCOC.
What is the InChIKey of N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide?
The InChIKey is HLGVIKSVLBHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-10(2)14(11,12)9-7-5-6-8-13-3/h4-9H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide?
N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 89402753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).