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

C11H22N2O3S — CID 43042411

IUPACN-(oxolan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2
InChIKeyMOSRAHVQMVEECZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.88
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)azepane-1-sulfonamide (PubChem CID 43042411) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)azepane-1-sulfonamide
PubChem CID43042411
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(oxolan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2
InChIKeyMOSRAHVQMVEECZ-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)azepane-1-sulfonamide (CID 43042411) is N-(oxolan-2-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)azepane-1-sulfonamide is O=S(=O)(NCC1CCCO1)N1CCCCCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
The InChIKey is MOSRAHVQMVEECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)azepane-1-sulfonamide?
N-(oxolan-2-ylmethyl)azepane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 43042411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).