molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride

C10H24ClN3O2S — CID 43842038

IUPACmolecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1.[H][H]
InChIInChI=1S/C10H21N3O2S.ClH.H2/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;;/h11H,1-10H2;2*1H
InChIKeyUZHXBTOXOPYCGN-UHFFFAOYSA-N
MW285.84 g/mol
LogP0.68
Rot. Bonds2

About molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride

molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride (PubChem CID 43842038) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride.

Molecular Properties

Compound Namemolecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
PubChem CID43842038
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC Namemolecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1.[H][H]
InChIInChI=1S/C10H21N3O2S.ClH.H2/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;;/h11H,1-10H2;2*1H
InChIKeyUZHXBTOXOPYCGN-UHFFFAOYSA-N
XLogP0.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride?
The IUPAC name of molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride (CID 43842038) is molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride.
What is the SMILES notation for molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride?
The canonical SMILES for molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride is Cl.O=S(=O)(N1CCCCCC1)N1CCNCC1.[H][H].
What is the InChIKey of molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride?
The InChIKey is UZHXBTOXOPYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH.H2/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;;/h11H,1-10H2;2*1H.
What are the key properties of molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride?
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride is sourced from PubChem (CID 43842038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).