N-propylazepane-1-sulfonamide

C9H20N2O2S — CID 43213426

IUPACN-propylazepane-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-7-10-14(12,13)11-8-5-3-4-6-9-11/h10H,2-9H2,1H3
InChIKeyWXIHLMGSNJYRLB-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.11
Rot. Bonds4

About N-propylazepane-1-sulfonamide

N-propylazepane-1-sulfonamide (PubChem CID 43213426) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-propylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-propylazepane-1-sulfonamide
PubChem CID43213426
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-propylazepane-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-7-10-14(12,13)11-8-5-3-4-6-9-11/h10H,2-9H2,1H3
InChIKeyWXIHLMGSNJYRLB-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propylazepane-1-sulfonamide?
The IUPAC name of N-propylazepane-1-sulfonamide (CID 43213426) is N-propylazepane-1-sulfonamide.
What is the SMILES notation for N-propylazepane-1-sulfonamide?
The canonical SMILES for N-propylazepane-1-sulfonamide is CCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-propylazepane-1-sulfonamide?
The InChIKey is WXIHLMGSNJYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-7-10-14(12,13)11-8-5-3-4-6-9-11/h10H,2-9H2,1H3.
What are the key properties of N-propylazepane-1-sulfonamide?
N-propylazepane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylazepane-1-sulfonamide is sourced from PubChem (CID 43213426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).