(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one

C13H27N3OS — CID 56752598

IUPAC(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one
SMILESCCSC[C@H](N)C(=O)N1CCN(CC)C(C)(C)C1
InChIInChI=1S/C13H27N3OS/c1-5-16-8-7-15(10-13(16,3)4)12(17)11(14)9-18-6-2/h11H,5-10,14H2,1-4H3/t11-/m0/s1
InChIKeyKJJZTJMJCXZDGX-NSHDSACASA-N
MW273.45 g/mol
LogP1.01
Rot. Bonds5

About (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one

(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one (PubChem CID 56752598) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one
PubChem CID56752598
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one
SMILESCCSC[C@H](N)C(=O)N1CCN(CC)C(C)(C)C1
InChIInChI=1S/C13H27N3OS/c1-5-16-8-7-15(10-13(16,3)4)12(17)11(14)9-18-6-2/h11H,5-10,14H2,1-4H3/t11-/m0/s1
InChIKeyKJJZTJMJCXZDGX-NSHDSACASA-N
XLogP1.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 61148706
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
2-Amino-1-(thiomorpholin-4-yl)propan-1-one hydrochloride
CID 50988106
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
N-(3-methylbutan-2-yl)-2-thiomorpholin-4-ylacetamide
CID 53516133
N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
2-Amino-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)butan-1-one dihydrochloride
CID 145867240
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one (CID 56752598) is (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one is CCSC[C@H](N)C(=O)N1CCN(CC)C(C)(C)C1.
What is the InChIKey of (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one?
The InChIKey is KJJZTJMJCXZDGX-NSHDSACASA-N. The full InChI is InChI=1S/C13H27N3OS/c1-5-16-8-7-15(10-13(16,3)4)12(17)11(14)9-18-6-2/h11H,5-10,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one?
(2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one has a molecular weight of 273.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)-3-ethylsulfanylpropan-1-one is sourced from PubChem (CID 56752598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).