(1-propylsulfonylpiperazin-2-yl)methanol

C8H18N2O3S — CID 123558742

IUPAC(1-propylsulfonylpiperazin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCNCC1CO
InChIInChI=1S/C8H18N2O3S/c1-2-5-14(12,13)10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3
InChIKeyZSJVVWXKHVSQDH-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds4

About (1-propylsulfonylpiperazin-2-yl)methanol

(1-propylsulfonylpiperazin-2-yl)methanol (PubChem CID 123558742) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (1-propylsulfonylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-propylsulfonylpiperazin-2-yl)methanol
PubChem CID123558742
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(1-propylsulfonylpiperazin-2-yl)methanol
SMILESCCCS(=O)(=O)N1CCNCC1CO
InChIInChI=1S/C8H18N2O3S/c1-2-5-14(12,13)10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3
InChIKeyZSJVVWXKHVSQDH-UHFFFAOYSA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperazin-2-yl)methanol?
The IUPAC name of (1-propylsulfonylpiperazin-2-yl)methanol (CID 123558742) is (1-propylsulfonylpiperazin-2-yl)methanol.
What is the SMILES notation for (1-propylsulfonylpiperazin-2-yl)methanol?
The canonical SMILES for (1-propylsulfonylpiperazin-2-yl)methanol is CCCS(=O)(=O)N1CCNCC1CO.
What is the InChIKey of (1-propylsulfonylpiperazin-2-yl)methanol?
The InChIKey is ZSJVVWXKHVSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-5-14(12,13)10-4-3-9-6-8(10)7-11/h8-9,11H,2-7H2,1H3.
What are the key properties of (1-propylsulfonylpiperazin-2-yl)methanol?
(1-propylsulfonylpiperazin-2-yl)methanol has a molecular weight of 222.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperazin-2-yl)methanol is sourced from PubChem (CID 123558742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).