N-(3-methoxypropyl)methanesulfonamide

C5H13NO3S — CID 4661895

IUPACN-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-9-5-3-4-6-10(2,7)8/h6H,3-5H2,1-2H3
InChIKeyVCLNQOAXVDEUPZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About N-(3-methoxypropyl)methanesulfonamide

N-(3-methoxypropyl)methanesulfonamide (PubChem CID 4661895) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)methanesulfonamide
PubChem CID4661895
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-9-5-3-4-6-10(2,7)8/h6H,3-5H2,1-2H3
InChIKeyVCLNQOAXVDEUPZ-UHFFFAOYSA-N
XLogP-0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
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-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)methanesulfonamide (CID 4661895) is N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)methanesulfonamide is COCCCNS(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is VCLNQOAXVDEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-9-5-3-4-6-10(2,7)8/h6H,3-5H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)methanesulfonamide?
N-(3-methoxypropyl)methanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 4661895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).