1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide

C9H19NO3S — CID 166765445

IUPAC1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)10-14(11,12)7-9-3-5-13-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIMZXGFHZGDNQJB-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.74
Rot. Bonds4

About 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide

1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 166765445) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID166765445
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)10-14(11,12)7-9-3-5-13-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIMZXGFHZGDNQJB-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide (CID 166765445) is 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is IMZXGFHZGDNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)10-14(11,12)7-9-3-5-13-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 166765445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).