1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one

C12H22N2OS — CID 129177926

IUPAC1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H22N2OS/c1-2-12(15)14-7-5-13(6-8-14)11-3-9-16-10-4-11/h11H,2-10H2,1H3
InChIKeyAWJKNXRZPBIZQH-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.44
Rot. Bonds2

About 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one

1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 129177926) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one
PubChem CID129177926
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H22N2OS/c1-2-12(15)14-7-5-13(6-8-14)11-3-9-16-10-4-11/h11H,2-10H2,1H3
InChIKeyAWJKNXRZPBIZQH-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one (CID 129177926) is 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C2CCSCC2)CC1.
What is the InChIKey of 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is AWJKNXRZPBIZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-12(15)14-7-5-13(6-8-14)11-3-9-16-10-4-11/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 242.39 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thian-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 129177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).