N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride

C12H20ClN3OS — CID 120650682

IUPACN-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSc1ccncc1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-14-10(2)8-15-12(16)9-17-11-4-6-13-7-5-11;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16);1H/t10-;/m1./s1
InChIKeyVPJAXKJSCRZMGC-HNCPQSOCSA-N
MW289.83 g/mol
LogP1.71
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride (PubChem CID 120650682) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
PubChem CID120650682
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSc1ccncc1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-14-10(2)8-15-12(16)9-17-11-4-6-13-7-5-11;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16);1H/t10-;/m1./s1
InChIKeyVPJAXKJSCRZMGC-HNCPQSOCSA-N
XLogP1.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
(3S)-5-methyl-3-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]hexanoic acid
CID 65493692
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65115027
2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120651812
N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
CID 79255664
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride (CID 120650682) is N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride is CCN[C@H](C)CNC(=O)CSc1ccncc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride?
The InChIKey is VPJAXKJSCRZMGC-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-3-14-10(2)8-15-12(16)9-17-11-4-6-13-7-5-11;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120650682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).