N-methoxypropane-1-sulfonamide

C4H11NO3S — CID 64973878

IUPACN-methoxypropane-1-sulfonamide
SMILESCCCS(=O)(=O)NOC
InChIInChI=1S/C4H11NO3S/c1-3-4-9(6,7)5-8-2/h5H,3-4H2,1-2H3
InChIKeyKOMPADYDOXSGCR-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.12
Rot. Bonds4

About N-methoxypropane-1-sulfonamide

N-methoxypropane-1-sulfonamide (PubChem CID 64973878) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is N-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-methoxypropane-1-sulfonamide
PubChem CID64973878
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC NameN-methoxypropane-1-sulfonamide
SMILESCCCS(=O)(=O)NOC
InChIInChI=1S/C4H11NO3S/c1-3-4-9(6,7)5-8-2/h5H,3-4H2,1-2H3
InChIKeyKOMPADYDOXSGCR-UHFFFAOYSA-N
XLogP-0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxypropane-1-sulfonamide?
The IUPAC name of N-methoxypropane-1-sulfonamide (CID 64973878) is N-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-methoxypropane-1-sulfonamide?
The canonical SMILES for N-methoxypropane-1-sulfonamide is CCCS(=O)(=O)NOC.
What is the InChIKey of N-methoxypropane-1-sulfonamide?
The InChIKey is KOMPADYDOXSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3-4-9(6,7)5-8-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methoxypropane-1-sulfonamide?
N-methoxypropane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypropane-1-sulfonamide is sourced from PubChem (CID 64973878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).