1-piperazin-1-ylsulfonylazepane

C10H21N3O2S — CID 2985870

IUPAC1-piperazin-1-ylsulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12/h11H,1-10H2
InChIKeyKOSLPARFJCNPFU-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.01
Rot. Bonds2

About 1-piperazin-1-ylsulfonylazepane

1-piperazin-1-ylsulfonylazepane (PubChem CID 2985870) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonylazepane.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonylazepane
PubChem CID2985870
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-piperazin-1-ylsulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12/h11H,1-10H2
InChIKeyKOSLPARFJCNPFU-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonylazepane?
The IUPAC name of 1-piperazin-1-ylsulfonylazepane (CID 2985870) is 1-piperazin-1-ylsulfonylazepane.
What is the SMILES notation for 1-piperazin-1-ylsulfonylazepane?
The canonical SMILES for 1-piperazin-1-ylsulfonylazepane is O=S(=O)(N1CCCCCC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylsulfonylazepane?
The InChIKey is KOSLPARFJCNPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12/h11H,1-10H2.
What are the key properties of 1-piperazin-1-ylsulfonylazepane?
1-piperazin-1-ylsulfonylazepane has a molecular weight of 247.36 g/mol, XLogP of 0.01, 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 is sourced from PubChem (CID 2985870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).