ethane;N-pentyloxane-4-sulfonamide

C12H27NO3S — CID 176560168

IUPACethane;N-pentyloxane-4-sulfonamide
SMILESCC.CCCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S.C2H6/c1-2-3-4-7-11-15(12,13)10-5-8-14-9-6-10;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyDXFQCUBDZAUNNS-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.30
Rot. Bonds6

About ethane;N-pentyloxane-4-sulfonamide

ethane;N-pentyloxane-4-sulfonamide (PubChem CID 176560168) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is ethane;N-pentyloxane-4-sulfonamide.

Molecular Properties

Compound Nameethane;N-pentyloxane-4-sulfonamide
PubChem CID176560168
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Nameethane;N-pentyloxane-4-sulfonamide
SMILESCC.CCCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S.C2H6/c1-2-3-4-7-11-15(12,13)10-5-8-14-9-6-10;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyDXFQCUBDZAUNNS-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.30
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 ethane;N-pentyloxane-4-sulfonamide?
The IUPAC name of ethane;N-pentyloxane-4-sulfonamide (CID 176560168) is ethane;N-pentyloxane-4-sulfonamide.
What is the SMILES notation for ethane;N-pentyloxane-4-sulfonamide?
The canonical SMILES for ethane;N-pentyloxane-4-sulfonamide is CC.CCCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of ethane;N-pentyloxane-4-sulfonamide?
The InChIKey is DXFQCUBDZAUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S.C2H6/c1-2-3-4-7-11-15(12,13)10-5-8-14-9-6-10;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;N-pentyloxane-4-sulfonamide?
ethane;N-pentyloxane-4-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pentyloxane-4-sulfonamide is sourced from PubChem (CID 176560168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).