(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

C15H24N2O2S — CID 28850329

IUPAC(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(C)[C@@H](CCO)C2)csc1C
InChIInChI=1S/C15H24N2O2S/c1-4-13-11(2)20-10-14(13)15(19)17-7-6-16(3)12(9-17)5-8-18/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyFHTXVPATMYALNY-LBPRGKRZSA-N
MW296.44 g/mol
LogP1.76
Rot. Bonds4

About (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 28850329) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID28850329
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(C)[C@@H](CCO)C2)csc1C
InChIInChI=1S/C15H24N2O2S/c1-4-13-11(2)20-10-14(13)15(19)17-7-6-16(3)12(9-17)5-8-18/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyFHTXVPATMYALNY-LBPRGKRZSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
CID 6468462
3-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
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(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
CID 70783669
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 70761632
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126432795
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 135107435
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 95228190

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (CID 28850329) is (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(C)[C@@H](CCO)C2)csc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is FHTXVPATMYALNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-13-11(2)20-10-14(13)15(19)17-7-6-16(3)12(9-17)5-8-18/h10,12,18H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 296.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 28850329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).