1-(3-methoxypropylsulfonyl)piperazine;hydrochloride

C8H19ClN2O3S — CID 71756651

IUPAC1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
SMILESCOCCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-13-7-2-8-14(11,12)10-5-3-9-4-6-10;/h9H,2-8H2,1H3;1H
InChIKeyITOGDLHNWPZMNN-UHFFFAOYSA-N
MW258.77 g/mol
LogP-0.32
Rot. Bonds5

About 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride

1-(3-methoxypropylsulfonyl)piperazine;hydrochloride (PubChem CID 71756651) has the molecular formula C8H19ClN2O3S and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
PubChem CID71756651
Molecular FormulaC8H19ClN2O3S
Molecular Weight258.77 g/mol
Exact Mass258.08
IUPAC Name1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
SMILESCOCCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-13-7-2-8-14(11,12)10-5-3-9-4-6-10;/h9H,2-8H2,1H3;1H
InChIKeyITOGDLHNWPZMNN-UHFFFAOYSA-N
XLogP-0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfonylpiperazine
CID 16769079
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]acetic acid
CID 63290308
1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705193
1-(3-methoxypropylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 113362560
2-piperazin-1-ylsulfonylethanamine
CID 16762501
2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 63342038
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061651
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride (CID 71756651) is 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride is COCCCS(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride?
The InChIKey is ITOGDLHNWPZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S.ClH/c1-13-7-2-8-14(11,12)10-5-3-9-4-6-10;/h9H,2-8H2,1H3;1H.
What are the key properties of 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride?
1-(3-methoxypropylsulfonyl)piperazine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 71756651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).