2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide

C18H27N3O2S — CID 9044707

IUPAC2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H27N3O2S/c1-12-7-6-8-13(2)21(12)18(23)14(3)20-15-9-4-5-10-16(15)24-11-17(19)22/h4-5,9-10,12-14,20H,6-8,11H2,1-3H3,(H2,19,22)/t12-,13-,14-/m1/s1
InChIKeyJMHDSCIIWYWKLT-MGPQQGTHSA-N
MW349.50 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide

2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide (PubChem CID 9044707) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
PubChem CID9044707
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H27N3O2S/c1-12-7-6-8-13(2)21(12)18(23)14(3)20-15-9-4-5-10-16(15)24-11-17(19)22/h4-5,9-10,12-14,20H,6-8,11H2,1-3H3,(H2,19,22)/t12-,13-,14-/m1/s1
InChIKeyJMHDSCIIWYWKLT-MGPQQGTHSA-N
XLogP2.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide with MolForge

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Related Compounds

(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
CID 75501620
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
CID 43722596
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
CID 43722576
(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide (CID 9044707) is 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide is C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide?
The InChIKey is JMHDSCIIWYWKLT-MGPQQGTHSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-7-6-8-13(2)21(12)18(23)14(3)20-15-9-4-5-10-16(15)24-11-17(19)22/h4-5,9-10,12-14,20H,6-8,11H2,1-3H3,(H2,19,22)/t12-,13-,14-/m1/s1.
What are the key properties of 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide?
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide has a molecular weight of 349.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9044707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).