N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide

C13H26N2O3S — CID 71937192

IUPACN-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O3S/c1-2-14(12-13-8-7-11-18-13)19(16,17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3
InChIKeyKBAPCPKHYIAIFG-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.61
Rot. Bonds5

About N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide

N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide (PubChem CID 71937192) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide
PubChem CID71937192
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O3S/c1-2-14(12-13-8-7-11-18-13)19(16,17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3
InChIKeyKBAPCPKHYIAIFG-UHFFFAOYSA-N
XLogP1.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide (CID 71937192) is N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide is CCN(CC1CCCO1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The InChIKey is KBAPCPKHYIAIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-14(12-13-8-7-11-18-13)19(16,17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 71937192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).