N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

C9H19NO3S — CID 64586872

IUPACN-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-3-8-14(11,12)10(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3
InChIKeyRKTFVPLRYXMLCZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (PubChem CID 64586872) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)propane-1-sulfonamide
PubChem CID64586872
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-3-8-14(11,12)10(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3
InChIKeyRKTFVPLRYXMLCZ-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (CID 64586872) is N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The InChIKey is RKTFVPLRYXMLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8-14(11,12)10(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
N-methyl-N-(oxan-4-yl)propane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 64586872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).