[(2R)-1-propylsulfanylpiperazin-2-yl]methanol

C8H18N2OS — CID 138547200

IUPAC[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
SMILESCCCSN1CCNC[C@@H]1CO
InChIInChI=1S/C8H18N2OS/c1-2-5-12-10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3/t8-/m1/s1
InChIKeySCZIOIUJPJXQOR-MRVPVSSYSA-N
MW190.31 g/mol
LogP0.31
Rot. Bonds4

About [(2R)-1-propylsulfanylpiperazin-2-yl]methanol

[(2R)-1-propylsulfanylpiperazin-2-yl]methanol (PubChem CID 138547200) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is [(2R)-1-propylsulfanylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
PubChem CID138547200
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name[(2R)-1-propylsulfanylpiperazin-2-yl]methanol
SMILESCCCSN1CCNC[C@@H]1CO
InChIInChI=1S/C8H18N2OS/c1-2-5-12-10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3/t8-/m1/s1
InChIKeySCZIOIUJPJXQOR-MRVPVSSYSA-N
XLogP0.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-propylsulfanylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-1-propylsulfanylpiperazin-2-yl]methanol (CID 138547200) is [(2R)-1-propylsulfanylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-propylsulfanylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1-propylsulfanylpiperazin-2-yl]methanol is CCCSN1CCNC[C@@H]1CO.
What is the InChIKey of [(2R)-1-propylsulfanylpiperazin-2-yl]methanol?
The InChIKey is SCZIOIUJPJXQOR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-5-12-10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-1-propylsulfanylpiperazin-2-yl]methanol?
[(2R)-1-propylsulfanylpiperazin-2-yl]methanol has a molecular weight of 190.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-propylsulfanylpiperazin-2-yl]methanol is sourced from PubChem (CID 138547200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).