N-(oxan-4-ylmethyl)propane-1-sulfonamide

C9H19NO3S — CID 62351916

IUPACN-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-2-7-14(11,12)10-8-9-3-5-13-6-4-9/h9-10H,2-8H2,1H3
InChIKeyFRQKTLMLOUKUQL-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.74
Rot. Bonds5

About N-(oxan-4-ylmethyl)propane-1-sulfonamide

N-(oxan-4-ylmethyl)propane-1-sulfonamide (PubChem CID 62351916) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)propane-1-sulfonamide
PubChem CID62351916
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-2-7-14(11,12)10-8-9-3-5-13-6-4-9/h9-10H,2-8H2,1H3
InChIKeyFRQKTLMLOUKUQL-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)propane-1-sulfonamide (CID 62351916) is N-(oxan-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is FRQKTLMLOUKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-7-14(11,12)10-8-9-3-5-13-6-4-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)propane-1-sulfonamide?
N-(oxan-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 62351916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).