1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride

C12H25ClN2O3S — CID 120876179

IUPAC1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride
SMILESCCCC1CNCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-2-4-11-9-13-6-7-14(11)18(15,16)12-5-3-8-17-10-12;/h11-13H,2-10H2,1H3;1H
InChIKeyRYFPTZOWMDTRIM-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.99
Rot. Bonds4

About 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride

1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride (PubChem CID 120876179) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride
PubChem CID120876179
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride
SMILESCCCC1CNCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-2-4-11-9-13-6-7-14(11)18(15,16)12-5-3-8-17-10-12;/h11-13H,2-10H2,1H3;1H
InChIKeyRYFPTZOWMDTRIM-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride?
The IUPAC name of 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride (CID 120876179) is 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride.
What is the SMILES notation for 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride?
The canonical SMILES for 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride is CCCC1CNCCN1S(=O)(=O)C1CCCOC1.Cl.
What is the InChIKey of 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride?
The InChIKey is RYFPTZOWMDTRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-2-4-11-9-13-6-7-14(11)18(15,16)12-5-3-8-17-10-12;/h11-13H,2-10H2,1H3;1H.
What are the key properties of 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride?
1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride is sourced from PubChem (CID 120876179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).