N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide

C12H24N2O2S — CID 124856247

IUPACN-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
SMILESCS[C@H](CO)[C@@H](C)NC(=O)CN1CCC[C@H]1C
InChIInChI=1S/C12H24N2O2S/c1-9-5-4-6-14(9)7-12(16)13-10(2)11(8-15)17-3/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t9-,10-,11-/m1/s1
InChIKeyHKQDFKHOJSIGQB-GMTAPVOTSA-N
MW260.40 g/mol
LogP0.70
Rot. Bonds6

About N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide

N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide (PubChem CID 124856247) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
PubChem CID124856247
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
SMILESCS[C@H](CO)[C@@H](C)NC(=O)CN1CCC[C@H]1C
InChIInChI=1S/C12H24N2O2S/c1-9-5-4-6-14(9)7-12(16)13-10(2)11(8-15)17-3/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t9-,10-,11-/m1/s1
InChIKeyHKQDFKHOJSIGQB-GMTAPVOTSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide with MolForge

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Related Compounds

N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882690
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(thian-4-yl)acetamide
CID 103801422
1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 103801448
3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 103801482
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798941
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[(2R)-2-acetylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 59945974
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
2-[(2R)-2-methylpiperidin-1-yl]-N-[(2S)-1-phenoxypropan-2-yl]acetamide
CID 129360205

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide (CID 124856247) is N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide is CS[C@H](CO)[C@@H](C)NC(=O)CN1CCC[C@H]1C.
What is the InChIKey of N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The InChIKey is HKQDFKHOJSIGQB-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9-5-4-6-14(9)7-12(16)13-10(2)11(8-15)17-3/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t9-,10-,11-/m1/s1.
What are the key properties of N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide has a molecular weight of 260.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124856247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).