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

C8H17NO3S — CID 61384178

IUPACN-(oxan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-7-13(10,11)9-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3
InChIKeyGCOLCYGSJUBEME-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds4

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

N-(oxan-4-yl)propane-1-sulfonamide (PubChem CID 61384178) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(oxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)propane-1-sulfonamide
PubChem CID61384178
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(oxan-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-7-13(10,11)9-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3
InChIKeyGCOLCYGSJUBEME-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)propane-1-sulfonamide?
The IUPAC name of N-(oxan-4-yl)propane-1-sulfonamide (CID 61384178) is N-(oxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)propane-1-sulfonamide?
The InChIKey is GCOLCYGSJUBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-7-13(10,11)9-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(oxan-4-yl)propane-1-sulfonamide?
N-(oxan-4-yl)propane-1-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 61384178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).