1-(thiolan-2-yl)piperazine

C8H16N2S — CID 57032040

IUPAC1-(thiolan-2-yl)piperazine
SMILESC1CSC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKeyHHPMKCLBLUYPRY-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.74
Rot. Bonds1

About 1-(thiolan-2-yl)piperazine

1-(thiolan-2-yl)piperazine (PubChem CID 57032040) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(thiolan-2-yl)piperazine.

Molecular Properties

Compound Name1-(thiolan-2-yl)piperazine
PubChem CID57032040
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(thiolan-2-yl)piperazine
SMILESC1CSC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKeyHHPMKCLBLUYPRY-UHFFFAOYSA-N
XLogP0.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiolan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101279
1-[(3-Fluorothiolan-3-yl)methyl]piperazine
CID 126845935
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CID 164657987
3-(Pyrrolidin-1-ylmethyl)thiomorpholine
CID 15730147
(R)-3-(1-pyrrolidinylmethyl)thiomorpholine
CID 18645474
3-(Pyrrolidin-1-ylmethyl)thiomorpholine dihydrochloride
CID 18915088
3-(Pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride
CID 19735829
2-Piperazin-1-yl-1,4-thiazepane
CID 19969534
4-(Pyrrolidin-2-ylmethyl)thiomorpholine
CID 20581138
N,N-dimethyl-1-thiomorpholin-3-ylethanamine
CID 23090382
4-{[(2S)-Pyrrolidin-2-yl]methyl}thiomorpholine
CID 28787653
N-(2-pyrrolidin-1-ylethyl)thian-4-amine
CID 43394934

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)piperazine?
The IUPAC name of 1-(thiolan-2-yl)piperazine (CID 57032040) is 1-(thiolan-2-yl)piperazine.
What is the SMILES notation for 1-(thiolan-2-yl)piperazine?
The canonical SMILES for 1-(thiolan-2-yl)piperazine is C1CSC(N2CCNCC2)C1.
What is the InChIKey of 1-(thiolan-2-yl)piperazine?
The InChIKey is HHPMKCLBLUYPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h8-9H,1-7H2.
What are the key properties of 1-(thiolan-2-yl)piperazine?
1-(thiolan-2-yl)piperazine has a molecular weight of 172.30 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)piperazine is sourced from PubChem (CID 57032040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).