N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

C13H26ClN3O2S — CID 119630529

IUPACN-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CSCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-13(2,14)10-15-11(17)8-19-9-12(18)16-6-4-3-5-7-16;/h3-10,14H2,1-2H3,(H,15,17);1H
InChIKeySEIAHDKIXFYRMV-UHFFFAOYSA-N
MW323.89 g/mol
LogP1.01
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (PubChem CID 119630529) has the molecular formula C13H26ClN3O2S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
PubChem CID119630529
Molecular FormulaC13H26ClN3O2S
Molecular Weight323.89 g/mol
Exact Mass323.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CSCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-13(2,14)10-15-11(17)8-19-9-12(18)16-6-4-3-5-7-16;/h3-10,14H2,1-2H3,(H,15,17);1H
InChIKeySEIAHDKIXFYRMV-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 119549649
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120947386
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120888645
2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
CID 115577333
N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 119588684
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394423
N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
2-methyl-2-(methylamino)-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbutanoic acid
CID 114236135
2-(2-amino-2-methylpropyl)sulfanyl-1-(1,4-diazepan-1-yl)ethanone
CID 66230148

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (CID 119630529) is N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is CC(C)(N)CNC(=O)CSCC(=O)N1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The InChIKey is SEIAHDKIXFYRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S.ClH/c1-13(2,14)10-15-11(17)8-19-9-12(18)16-6-4-3-5-7-16;/h3-10,14H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119630529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).