N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide

C11H17NO2S2 — CID 99695736

IUPACN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide
SMILESCSC[C@@](C)(O)CNC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S2/c1-11(14,8-15-2)7-12-10(13)5-9-3-4-16-6-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyPZDKTUKWIVYBCB-NSHDSACASA-N
MW259.40 g/mol
LogP1.52
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide (PubChem CID 99695736) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide
PubChem CID99695736
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide
SMILESCSC[C@@](C)(O)CNC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S2/c1-11(14,8-15-2)7-12-10(13)5-9-3-4-16-6-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyPZDKTUKWIVYBCB-NSHDSACASA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide (CID 99695736) is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide is CSC[C@@](C)(O)CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide?
The InChIKey is PZDKTUKWIVYBCB-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-11(14,8-15-2)7-12-10(13)5-9-3-4-16-6-9/h3-4,6,14H,5,7-8H2,1-2H3,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide?
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide has a molecular weight of 259.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 99695736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).