(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one

C11H23N3O2S — CID 104906961

IUPAC(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2S/c1-17-9-2-10(12)11(16)14-5-3-13(4-6-14)7-8-15/h10,15H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyBPFHFDOWALEQKL-SNVBAGLBSA-N
MW261.39 g/mol
LogP-0.80
Rot. Bonds6

About (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one

(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one (PubChem CID 104906961) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
PubChem CID104906961
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2S/c1-17-9-2-10(12)11(16)14-5-3-13(4-6-14)7-8-15/h10,15H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyBPFHFDOWALEQKL-SNVBAGLBSA-N
XLogP-0.80
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one;dihydrochloride
CID 119838521
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
2-[4-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 104907616
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 71941849
2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]hexan-1-one
CID 107218240
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-N-ethylpiperazine-1-carboxamide
CID 104907641
(2S)-2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165122
2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylsulfonylbutan-1-one
CID 107218220
(2S)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 106668824
(2S)-2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 119879988
(2S)-2-amino-4-methylsulfanyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 61163866
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104906949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one (CID 104906961) is (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one is CSCC[C@@H](N)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one?
The InChIKey is BPFHFDOWALEQKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-17-9-2-10(12)11(16)14-5-3-13(4-6-14)7-8-15/h10,15H,2-9,12H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one?
(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one has a molecular weight of 261.39 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 104906961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).