2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone

C9H19N3OS — CID 66244111

IUPAC2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
SMILESCC(CN)SCC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3OS/c1-8(6-10)14-7-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3
InChIKeyUGOXRTSDSGOCHD-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.50
Rot. Bonds4

About 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone

2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone (PubChem CID 66244111) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
PubChem CID66244111
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
SMILESCC(CN)SCC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3OS/c1-8(6-10)14-7-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3
InChIKeyUGOXRTSDSGOCHD-UHFFFAOYSA-N
XLogP-0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66226245
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-(3-aminopropylsulfanyl)-1-piperazin-1-ylethanone
CID 66217030
2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 115659711
2-[(2,2-dimethylcyclopropyl)amino]-1-piperazin-1-ylethanone
CID 82508390
2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115776841
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone (CID 66244111) is 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone is CC(CN)SCC(=O)N1CCNCC1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The InChIKey is UGOXRTSDSGOCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-8(6-10)14-7-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone has a molecular weight of 217.34 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 66244111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).