1-piperazin-4-ium-1-ylsulfonylazepane

C10H22N3O2S+ — CID 7378377

IUPAC1-piperazin-4-ium-1-ylsulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CC[NH2+]CC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12/h11H,1-10H2/p+1
InChIKeyKOSLPARFJCNPFU-UHFFFAOYSA-O
MW248.37 g/mol
LogP-1.01
Rot. Bonds2

About 1-piperazin-4-ium-1-ylsulfonylazepane

1-piperazin-4-ium-1-ylsulfonylazepane (PubChem CID 7378377) has the molecular formula C10H22N3O2S+ and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-piperazin-4-ium-1-ylsulfonylazepane.

Molecular Properties

Compound Name1-piperazin-4-ium-1-ylsulfonylazepane
PubChem CID7378377
Molecular FormulaC10H22N3O2S+
Molecular Weight248.37 g/mol
Exact Mass248.14
IUPAC Name1-piperazin-4-ium-1-ylsulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CC[NH2+]CC1
InChIInChI=1S/C10H21N3O2S/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12/h11H,1-10H2/p+1
InChIKeyKOSLPARFJCNPFU-UHFFFAOYSA-O
XLogP-1.01
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Piperazinylsulfonyl)azepane hydrochloride
CID 2985869
1-(Piperazine-1-sulfonyl)azepane
CID 2985870
N-[6-(trifluoromethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 82794527
1-Piperazin-1-ylsulfonylazepane chloride
CID 53351990
1-Piperazin-1-ylsulfonyl-1,4-diazepane
CID 20735244
Azepane;piperazine
CID 22073002
N-pentylpiperazine-1-sulfonamide
CID 28775697
1-[2-(Dimethylsulfamoylamino)ethyl]piperidin-1-ium
CID 7130311
Molecular hydrogen;1-piperazin-1-ylsulfonylazepane;chloride
CID 16451310
2-[(Dimethylsulfamoylamino)methyl]piperidine
CID 17791132
Dimethylsulfamoyl(2-piperidin-1-ium-1-ylethyl)azanide
CID 28229635
1-(Azepan-1-ylsulfonyl)-1,4-diazepane
CID 28746666

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-4-ium-1-ylsulfonylazepane?
The IUPAC name of 1-piperazin-4-ium-1-ylsulfonylazepane (CID 7378377) is 1-piperazin-4-ium-1-ylsulfonylazepane.
What is the SMILES notation for 1-piperazin-4-ium-1-ylsulfonylazepane?
The canonical SMILES for 1-piperazin-4-ium-1-ylsulfonylazepane is O=S(=O)(N1CCCCCC1)N1CC[NH2+]CC1.
What is the InChIKey of 1-piperazin-4-ium-1-ylsulfonylazepane?
The InChIKey is KOSLPARFJCNPFU-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 1-piperazin-4-ium-1-ylsulfonylazepane?
1-piperazin-4-ium-1-ylsulfonylazepane has a molecular weight of 248.37 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-4-ium-1-ylsulfonylazepane is sourced from PubChem (CID 7378377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).