(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide

C11H16ClNO2S2 — CID 95988289

IUPAC(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@@H](C)C(=O)NC[C@@H](O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-7(6-16-2)11(15)13-5-8(14)9-3-4-10(12)17-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)/t7-,8-/m1/s1
InChIKeyQRHADIOWHWSJPP-HTQZYQBOSA-N
MW293.84 g/mol
LogP2.55
Rot. Bonds6

About (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide

(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 95988289) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID95988289
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@@H](C)C(=O)NC[C@@H](O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-7(6-16-2)11(15)13-5-8(14)9-3-4-10(12)17-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)/t7-,8-/m1/s1
InChIKeyQRHADIOWHWSJPP-HTQZYQBOSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 110007680
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 71989458
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 82120398
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 71989480
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95988579
2-[[N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N'-methylcarbamimidoyl]amino]-N-methylacetamide;hydroiodide
CID 119142109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide (CID 95988289) is (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide is CSC[C@@H](C)C(=O)NC[C@@H](O)c1ccc(Cl)s1.
What is the InChIKey of (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is QRHADIOWHWSJPP-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-7(6-16-2)11(15)13-5-8(14)9-3-4-10(12)17-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)/t7-,8-/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide?
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 293.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 95988289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).