1-piperazin-1-ylsulfonylazepane;hydrochloride

C10H22ClN3O2S — CID 2985869

IUPAC1-piperazin-1-ylsulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H
InChIKeyVAPBINNBCGYRPI-UHFFFAOYSA-N
MW283.82 g/mol
LogP0.43
Rot. Bonds2

About 1-piperazin-1-ylsulfonylazepane;hydrochloride

1-piperazin-1-ylsulfonylazepane;hydrochloride (PubChem CID 2985869) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonylazepane;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonylazepane;hydrochloride
PubChem CID2985869
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC Name1-piperazin-1-ylsulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H
InChIKeyVAPBINNBCGYRPI-UHFFFAOYSA-N
XLogP0.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperazin-1-ylsulfonylazepane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonylazepane;hydrochloride?
The IUPAC name of 1-piperazin-1-ylsulfonylazepane;hydrochloride (CID 2985869) is 1-piperazin-1-ylsulfonylazepane;hydrochloride.
What is the SMILES notation for 1-piperazin-1-ylsulfonylazepane;hydrochloride?
The canonical SMILES for 1-piperazin-1-ylsulfonylazepane;hydrochloride is Cl.O=S(=O)(N1CCCCCC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylsulfonylazepane;hydrochloride?
The InChIKey is VAPBINNBCGYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H.
What are the key properties of 1-piperazin-1-ylsulfonylazepane;hydrochloride?
1-piperazin-1-ylsulfonylazepane;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonylazepane;hydrochloride is sourced from PubChem (CID 2985869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).