1-piperazin-1-yl-2-(thietan-3-yl)ethanone

C9H16N2OS — CID 84669595

IUPAC1-piperazin-1-yl-2-(thietan-3-yl)ethanone
SMILESO=C(CC1CSC1)N1CCNCC1
InChIInChI=1S/C9H16N2OS/c12-9(5-8-6-13-7-8)11-3-1-10-2-4-11/h8,10H,1-7H2
InChIKeyFIZKIDWZZATBMJ-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.17
Rot. Bonds2

About 1-piperazin-1-yl-2-(thietan-3-yl)ethanone

1-piperazin-1-yl-2-(thietan-3-yl)ethanone (PubChem CID 84669595) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(thietan-3-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(thietan-3-yl)ethanone
PubChem CID84669595
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-piperazin-1-yl-2-(thietan-3-yl)ethanone
SMILESO=C(CC1CSC1)N1CCNCC1
InChIInChI=1S/C9H16N2OS/c12-9(5-8-6-13-7-8)11-3-1-10-2-4-11/h8,10H,1-7H2
InChIKeyFIZKIDWZZATBMJ-UHFFFAOYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
1-(3-methylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 83145896
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866683
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
CID 82505588
1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119791856
1-(4-methylpiperazin-1-yl)-2-(thian-3-yl)ethanone
CID 110849812
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(thietan-3-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(thietan-3-yl)ethanone (CID 84669595) is 1-piperazin-1-yl-2-(thietan-3-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(thietan-3-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(thietan-3-yl)ethanone is O=C(CC1CSC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(thietan-3-yl)ethanone?
The InChIKey is FIZKIDWZZATBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(5-8-6-13-7-8)11-3-1-10-2-4-11/h8,10H,1-7H2.
What are the key properties of 1-piperazin-1-yl-2-(thietan-3-yl)ethanone?
1-piperazin-1-yl-2-(thietan-3-yl)ethanone has a molecular weight of 200.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(thietan-3-yl)ethanone is sourced from PubChem (CID 84669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).