(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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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
[3-(bromomethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 130993210
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 120983111
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753
2-[3-methyl-1-(thiolane-2-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657651
piperidin-1-yl(thian-2-yl)methanone
CID 80596392

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).