1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one

C10H20N2O2S — CID 71941849

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O2S/c1-9(15-2)10(14)12-5-3-11(4-6-12)7-8-13/h9,13H,3-8H2,1-2H3
InChIKeyCRKDTLROWINDGB-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.13
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one (PubChem CID 71941849) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
PubChem CID71941849
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O2S/c1-9(15-2)10(14)12-5-3-11(4-6-12)7-8-13/h9,13H,3-8H2,1-2H3
InChIKeyCRKDTLROWINDGB-UHFFFAOYSA-N
XLogP-0.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906961
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 43592282
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769145
1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119422924
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 61201269

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one (CID 71941849) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one?
The InChIKey is CRKDTLROWINDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(15-2)10(14)12-5-3-11(4-6-12)7-8-13/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one has a molecular weight of 232.35 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 71941849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).