2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide

C9H18N2O2S — CID 81040405

IUPAC2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CN1CCNCC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyHHGFMQJWYBKMQM-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide

2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide (PubChem CID 81040405) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
PubChem CID81040405
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CN1CCNCC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyHHGFMQJWYBKMQM-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 104519129
2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039917
4-(1,4-diazepan-1-ylmethyl)thiane 1,1-dioxide
CID 115100681
2-[(3-methyl-3-phenylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81041042
1-[(1,1-dioxothiolan-2-yl)methyl]imidazolidine-2,4,5-trione
CID 81040609
N-[(1,1-dioxothiolan-2-yl)methyl]pyrrolidin-3-amine
CID 81039653
2-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]thiolane 1,1-dioxide
CID 146135361
N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
CID 167788597
2-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 138018958
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide (CID 81040405) is 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide is O=S1(=O)CCCC1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide?
The InChIKey is HHGFMQJWYBKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11/h9-10H,1-8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide?
2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 81040405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).