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

C12H24N2O3S — CID 47408272

IUPACN-(oxan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-8-4-1-2-5-9-14)13-11-12-7-3-6-10-17-12/h12-13H,1-11H2
InChIKeyUTHKBZQYJKKHKG-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.27
Rot. Bonds4

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

N-(oxan-2-ylmethyl)azepane-1-sulfonamide (PubChem CID 47408272) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)azepane-1-sulfonamide
PubChem CID47408272
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(oxan-2-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-8-4-1-2-5-9-14)13-11-12-7-3-6-10-17-12/h12-13H,1-11H2
InChIKeyUTHKBZQYJKKHKG-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-(oxan-2-ylmethyl)azepane-1-sulfonamide (CID 47408272) is N-(oxan-2-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(oxan-2-ylmethyl)azepane-1-sulfonamide is O=S(=O)(NCC1CCCCO1)N1CCCCCC1.
What is the InChIKey of N-(oxan-2-ylmethyl)azepane-1-sulfonamide?
The InChIKey is UTHKBZQYJKKHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-18(16,14-8-4-1-2-5-9-14)13-11-12-7-3-6-10-17-12/h12-13H,1-11H2.
What are the key properties of N-(oxan-2-ylmethyl)azepane-1-sulfonamide?
N-(oxan-2-ylmethyl)azepane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 47408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).