1-propylsulfinylpiperazine

C7H16N2OS — CID 83695835

IUPAC1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-2-7-11(10)9-5-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeySNAMQWGFPGYJJD-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.03
Rot. Bonds3

About 1-propylsulfinylpiperazine

1-propylsulfinylpiperazine (PubChem CID 83695835) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-propylsulfinylpiperazine.

Molecular Properties

Compound Name1-propylsulfinylpiperazine
PubChem CID83695835
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-propylsulfinylpiperazine
SMILESCCCS(=O)N1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-2-7-11(10)9-5-3-8-4-6-9/h8H,2-7H2,1H3
InChIKeySNAMQWGFPGYJJD-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinylpiperazine?
The IUPAC name of 1-propylsulfinylpiperazine (CID 83695835) is 1-propylsulfinylpiperazine.
What is the SMILES notation for 1-propylsulfinylpiperazine?
The canonical SMILES for 1-propylsulfinylpiperazine is CCCS(=O)N1CCNCC1.
What is the InChIKey of 1-propylsulfinylpiperazine?
The InChIKey is SNAMQWGFPGYJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-2-7-11(10)9-5-3-8-4-6-9/h8H,2-7H2,1H3.
What are the key properties of 1-propylsulfinylpiperazine?
1-propylsulfinylpiperazine has a molecular weight of 176.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinylpiperazine is sourced from PubChem (CID 83695835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).