2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride

C9H20ClN3O2S — CID 119969723

IUPAC2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-9-8-10-4-7-12(9)15(13,14)11-5-2-3-6-11;/h9-10H,2-8H2,1H3;1H
InChIKeyCSJZLXWXOMSHKC-UHFFFAOYSA-N
MW269.80 g/mol
LogP0.04
Rot. Bonds2

About 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride

2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride (PubChem CID 119969723) has the molecular formula C9H20ClN3O2S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
PubChem CID119969723
Molecular FormulaC9H20ClN3O2S
Molecular Weight269.80 g/mol
Exact Mass269.10
IUPAC Name2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-9-8-10-4-7-12(9)15(13,14)11-5-2-3-6-11;/h9-10H,2-8H2,1H3;1H
InChIKeyCSJZLXWXOMSHKC-UHFFFAOYSA-N
XLogP0.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride (CID 119969723) is 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride is CC1CNCCN1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride?
The InChIKey is CSJZLXWXOMSHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S.ClH/c1-9-8-10-4-7-12(9)15(13,14)11-5-2-3-6-11;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride?
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).