1-cyclopropylsulfonylpiperazine;hydrochloride

C7H15ClN2O2S — CID 66617637

IUPAC1-cyclopropylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(C1CC1)N1CCNCC1
InChIInChI=1S/C7H14N2O2S.ClH/c10-12(11,7-1-2-7)9-5-3-8-4-6-9;/h7-8H,1-6H2;1H
InChIKeyXMQSYWUXRAPUHP-UHFFFAOYSA-N
MW226.73 g/mol
LogP-0.19
Rot. Bonds2

About 1-cyclopropylsulfonylpiperazine;hydrochloride

1-cyclopropylsulfonylpiperazine;hydrochloride (PubChem CID 66617637) has the molecular formula C7H15ClN2O2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperazine;hydrochloride
PubChem CID66617637
Molecular FormulaC7H15ClN2O2S
Molecular Weight226.73 g/mol
Exact Mass226.05
IUPAC Name1-cyclopropylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(C1CC1)N1CCNCC1
InChIInChI=1S/C7H14N2O2S.ClH/c10-12(11,7-1-2-7)9-5-3-8-4-6-9;/h7-8H,1-6H2;1H
InChIKeyXMQSYWUXRAPUHP-UHFFFAOYSA-N
XLogP-0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-cyclopropylsulfonylpiperazine;hydrochloride (CID 66617637) is 1-cyclopropylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-cyclopropylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-cyclopropylsulfonylpiperazine;hydrochloride is Cl.O=S(=O)(C1CC1)N1CCNCC1.
What is the InChIKey of 1-cyclopropylsulfonylpiperazine;hydrochloride?
The InChIKey is XMQSYWUXRAPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S.ClH/c10-12(11,7-1-2-7)9-5-3-8-4-6-9;/h7-8H,1-6H2;1H.
What are the key properties of 1-cyclopropylsulfonylpiperazine;hydrochloride?
1-cyclopropylsulfonylpiperazine;hydrochloride has a molecular weight of 226.73 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 66617637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).