(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone

C11H20N2OS — CID 79506964

IUPAC(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCS2)CCN1
InChIInChI=1S/C11H20N2OS/c1-11(2)8-13(6-5-12-11)10(14)9-4-3-7-15-9/h9,12H,3-8H2,1-2H3
InChIKeyCCWGQVZYMPKNIY-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone (PubChem CID 79506964) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
PubChem CID79506964
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCS2)CCN1
InChIInChI=1S/C11H20N2OS/c1-11(2)8-13(6-5-12-11)10(14)9-4-3-7-15-9/h9,12H,3-8H2,1-2H3
InChIKeyCCWGQVZYMPKNIY-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone (CID 79506964) is (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone is CC1(C)CN(C(=O)C2CCCS2)CCN1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone?
The InChIKey is CCWGQVZYMPKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2)8-13(6-5-12-11)10(14)9-4-3-7-15-9/h9,12H,3-8H2,1-2H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 79506964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).