1-(tetrahydro-2H-thiopyran-4-yl)piperazine

C9H18N2S — CID 45791268

IUPAC1-(thian-4-yl)piperazine
SMILESC1CSCCC1N2CCNCC2
InChIInChI=1S/C9H18N2S/c1-7-12-8-2-9(1)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyZFMTYEGWVDAQAP-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.80
Rot. Bonds1

About 1-(tetrahydro-2H-thiopyran-4-yl)piperazine

1-(tetrahydro-2H-thiopyran-4-yl)piperazine (PubChem CID 45791268) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(thian-4-yl)piperazine.

Molecular Properties

Compound Name1-(tetrahydro-2H-thiopyran-4-yl)piperazine
PubChem CID45791268
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(thian-4-yl)piperazine
SMILESC1CSCCC1N2CCNCC2
InChIInChI=1S/C9H18N2S/c1-7-12-8-2-9(1)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyZFMTYEGWVDAQAP-UHFFFAOYSA-N
XLogP0.80
TPSA40.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity128

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Piperidin-1-ylmethyl)-1,4-thiazepane
CID 71300289
9-Thia-1,4-diazaspiro[5.5]undecane
CID 82411744
1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
3-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine
CID 82917032
1-(Thian-4-yl)-2-(trifluoromethyl)piperazine
CID 115101251
1-(Thian-3-yl)-2-(trifluoromethyl)piperazine
CID 115101272
1-(Thian-2-yl)-2-(trifluoromethyl)piperazine
CID 115101286
1-(Thian-2-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101300
1-methyl-N-(thian-4-yl)piperidin-4-amine
CID 43394899
3-(Pyrrolidin-1-ylmethyl)thiomorpholine
CID 15730147

Frequently Asked Questions

What is the IUPAC name of 1-(tetrahydro-2H-thiopyran-4-yl)piperazine?
The IUPAC name of 1-(tetrahydro-2H-thiopyran-4-yl)piperazine (CID 45791268) is 1-(thian-4-yl)piperazine.
What is the SMILES notation for 1-(tetrahydro-2H-thiopyran-4-yl)piperazine?
The canonical SMILES for 1-(tetrahydro-2H-thiopyran-4-yl)piperazine is C1CSCCC1N2CCNCC2.
What is the InChIKey of 1-(tetrahydro-2H-thiopyran-4-yl)piperazine?
The InChIKey is ZFMTYEGWVDAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-7-12-8-2-9(1)11-5-3-10-4-6-11/h9-10H,1-8H2.
What are the key properties of 1-(tetrahydro-2H-thiopyran-4-yl)piperazine?
1-(tetrahydro-2H-thiopyran-4-yl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrahydro-2H-thiopyran-4-yl)piperazine is sourced from PubChem (CID 45791268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).