1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide

C14H30N2O3S — CID 167300743

IUPAC1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide
SMILESCCN1CC(S(=O)(=O)NCCCCCCOC(C)C)C1
InChIInChI=1S/C14H30N2O3S/c1-4-16-11-14(12-16)20(17,18)15-9-7-5-6-8-10-19-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVWOXFPASLDSVOG-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.60
Rot. Bonds11

About 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide

1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide (PubChem CID 167300743) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide
PubChem CID167300743
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide
SMILESCCN1CC(S(=O)(=O)NCCCCCCOC(C)C)C1
InChIInChI=1S/C14H30N2O3S/c1-4-16-11-14(12-16)20(17,18)15-9-7-5-6-8-10-19-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyVWOXFPASLDSVOG-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide?
The IUPAC name of 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide (CID 167300743) is 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide is CCN1CC(S(=O)(=O)NCCCCCCOC(C)C)C1.
What is the InChIKey of 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide?
The InChIKey is VWOXFPASLDSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-4-16-11-14(12-16)20(17,18)15-9-7-5-6-8-10-19-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide?
1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide is sourced from PubChem (CID 167300743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).