N-(oxolan-3-ylmethyl)azepane-1-sulfonamide

C11H22N2O3S — CID 47203443

IUPACN-(oxolan-3-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-9-11-5-8-16-10-11)13-6-3-1-2-4-7-13/h11-12H,1-10H2
InChIKeyHKXUPDZHGXZGCW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.73
Rot. Bonds4

About N-(oxolan-3-ylmethyl)azepane-1-sulfonamide

N-(oxolan-3-ylmethyl)azepane-1-sulfonamide (PubChem CID 47203443) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)azepane-1-sulfonamide
PubChem CID47203443
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(oxolan-3-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-9-11-5-8-16-10-11)13-6-3-1-2-4-7-13/h11-12H,1-10H2
InChIKeyHKXUPDZHGXZGCW-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)azepane-1-sulfonamide (CID 47203443) is N-(oxolan-3-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)azepane-1-sulfonamide is O=S(=O)(NCC1CCOC1)N1CCCCCC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)azepane-1-sulfonamide?
The InChIKey is HKXUPDZHGXZGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,12-9-11-5-8-16-10-11)13-6-3-1-2-4-7-13/h11-12H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)azepane-1-sulfonamide?
N-(oxolan-3-ylmethyl)azepane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 47203443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).