2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone

C10H21N3OS — CID 66226245

IUPAC2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
SMILESCC(CCN)SCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3OS/c1-9(2-3-11)15-8-10(14)13-6-4-12-5-7-13/h9,12H,2-8,11H2,1H3
InChIKeyVEVLMEXZLKEFIM-UHFFFAOYSA-N
MW231.36 g/mol
LogP-0.11
Rot. Bonds5

About 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone

2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone (PubChem CID 66226245) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
PubChem CID66226245
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
SMILESCC(CCN)SCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3OS/c1-9(2-3-11)15-8-10(14)13-6-4-12-5-7-13/h9,12H,2-8,11H2,1H3
InChIKeyVEVLMEXZLKEFIM-UHFFFAOYSA-N
XLogP-0.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-(3-aminopropylsulfanyl)-1-piperazin-1-ylethanone
CID 66217030
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
2-(4-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66136593
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
2-(4-aminobutan-2-ylsulfanyl)-N,N-dimethylacetamide
CID 66229987
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 115659711

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone (CID 66226245) is 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone is CC(CCN)SCC(=O)N1CCNCC1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
The InChIKey is VEVLMEXZLKEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-9(2-3-11)15-8-10(14)13-6-4-12-5-7-13/h9,12H,2-8,11H2,1H3.
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone?
2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone has a molecular weight of 231.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 66226245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).