2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide

C9H17N3OS — CID 173135103

IUPAC2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide
SMILESCCCN1CCN(C(=S)C(N)=O)CC1
InChIInChI=1S/C9H17N3OS/c1-2-3-11-4-6-12(7-5-11)9(14)8(10)13/h2-7H2,1H3,(H2,10,13)
InChIKeyOVKJWUAZCGBPHX-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.17
Rot. Bonds2

About 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide

2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide (PubChem CID 173135103) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide
PubChem CID173135103
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide
SMILESCCCN1CCN(C(=S)C(N)=O)CC1
InChIInChI=1S/C9H17N3OS/c1-2-3-11-4-6-12(7-5-11)9(14)8(10)13/h2-7H2,1H3,(H2,10,13)
InChIKeyOVKJWUAZCGBPHX-UHFFFAOYSA-N
XLogP-0.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide (CID 173135103) is 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide is CCCN1CCN(C(=S)C(N)=O)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide?
The InChIKey is OVKJWUAZCGBPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-3-11-4-6-12(7-5-11)9(14)8(10)13/h2-7H2,1H3,(H2,10,13).
What are the key properties of 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide?
2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide has a molecular weight of 215.32 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-2-sulfanylideneacetamide is sourced from PubChem (CID 173135103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).