4-propylazepane-1-sulfonamide

C9H20N2O2S — CID 62076528

IUPAC4-propylazepane-1-sulfonamide
SMILESCCCC1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-4-9-5-3-7-11(8-6-9)14(10,12)13/h9H,2-8H2,1H3,(H2,10,12,13)
InChIKeyQXODQZZOZVKIQZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.09
Rot. Bonds3

About 4-propylazepane-1-sulfonamide

4-propylazepane-1-sulfonamide (PubChem CID 62076528) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-propylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-propylazepane-1-sulfonamide
PubChem CID62076528
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-propylazepane-1-sulfonamide
SMILESCCCC1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-4-9-5-3-7-11(8-6-9)14(10,12)13/h9H,2-8H2,1H3,(H2,10,12,13)
InChIKeyQXODQZZOZVKIQZ-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propylazepane-1-sulfonamide?
The IUPAC name of 4-propylazepane-1-sulfonamide (CID 62076528) is 4-propylazepane-1-sulfonamide.
What is the SMILES notation for 4-propylazepane-1-sulfonamide?
The canonical SMILES for 4-propylazepane-1-sulfonamide is CCCC1CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-propylazepane-1-sulfonamide?
The InChIKey is QXODQZZOZVKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-4-9-5-3-7-11(8-6-9)14(10,12)13/h9H,2-8H2,1H3,(H2,10,12,13).
What are the key properties of 4-propylazepane-1-sulfonamide?
4-propylazepane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylazepane-1-sulfonamide is sourced from PubChem (CID 62076528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).