(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone

C12H22N2OS — CID 70214355

IUPAC(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C12H22N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h10-11H,3-9H2,1-2H3
InChIKeyDMZJZHCALJIDDL-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.43
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone (PubChem CID 70214355) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone
PubChem CID70214355
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C12H22N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h10-11H,3-9H2,1-2H3
InChIKeyDMZJZHCALJIDDL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone (CID 70214355) is (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone is CC(C)N1CCN(C(=O)C2CCCS2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The InChIKey is DMZJZHCALJIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 70214355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).