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

C11H18N2O3S — CID 2234231

IUPACN-(furan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCc1ccco1)N1CCCCCC1
InChIInChI=1S/C11H18N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8,10H2
InChIKeyCRPITDPBMAXSRZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.49
Rot. Bonds4

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

N-(furan-2-ylmethyl)azepane-1-sulfonamide (PubChem CID 2234231) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)azepane-1-sulfonamide
PubChem CID2234231
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(furan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCc1ccco1)N1CCCCCC1
InChIInChI=1S/C11H18N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8,10H2
InChIKeyCRPITDPBMAXSRZ-UHFFFAOYSA-N
XLogP1.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)azepane-1-sulfonamide (CID 2234231) is N-(furan-2-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)azepane-1-sulfonamide is O=S(=O)(NCc1ccco1)N1CCCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)azepane-1-sulfonamide?
The InChIKey is CRPITDPBMAXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8,10H2.
What are the key properties of N-(furan-2-ylmethyl)azepane-1-sulfonamide?
N-(furan-2-ylmethyl)azepane-1-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 2234231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).