2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C10H20N2O2S — CID 81039917

IUPAC2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CNCCN1CC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c1-9-7-11-4-5-12(9)8-10-3-2-6-15(10,13)14/h9-11H,2-8H2,1H3
InChIKeyZYAVLCFBXZAUAE-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds2

About 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 81039917) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID81039917
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CNCCN1CC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c1-9-7-11-4-5-12(9)8-10-3-2-6-15(10,13)14/h9-11H,2-8H2,1H3
InChIKeyZYAVLCFBXZAUAE-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
CID 81040405
2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 104519129
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81040147
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
N-[(1,1-dioxothiolan-2-yl)methyl]pyrrolidin-3-amine
CID 81039653
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 172731821
(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
CID 130678897
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039834

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 81039917) is 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CC1CNCCN1CC1CCCS1(=O)=O.
What is the InChIKey of 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is ZYAVLCFBXZAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-7-11-4-5-12(9)8-10-3-2-6-15(10,13)14/h9-11H,2-8H2,1H3.
What are the key properties of 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 232.35 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 81039917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).