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

C12H25NO3S — CID 138655802

IUPACN-(oxan-4-yl)heptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-2-3-4-5-6-11-17(14,15)13-12-7-9-16-10-8-12/h12-13H,2-11H2,1H3
InChIKeyCSGPMNQPZMIQKU-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.06
Rot. Bonds8

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

N-(oxan-4-yl)heptane-1-sulfonamide (PubChem CID 138655802) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(oxan-4-yl)heptane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)heptane-1-sulfonamide
PubChem CID138655802
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(oxan-4-yl)heptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-2-3-4-5-6-11-17(14,15)13-12-7-9-16-10-8-12/h12-13H,2-11H2,1H3
InChIKeyCSGPMNQPZMIQKU-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)heptane-1-sulfonamide?
The IUPAC name of N-(oxan-4-yl)heptane-1-sulfonamide (CID 138655802) is N-(oxan-4-yl)heptane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)heptane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)heptane-1-sulfonamide is CCCCCCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)heptane-1-sulfonamide?
The InChIKey is CSGPMNQPZMIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-3-4-5-6-11-17(14,15)13-12-7-9-16-10-8-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(oxan-4-yl)heptane-1-sulfonamide?
N-(oxan-4-yl)heptane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)heptane-1-sulfonamide is sourced from PubChem (CID 138655802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).