2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide

C10H13NO2S — CID 90836837

IUPAC2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide
SMILES[13CH3]N([13CH3])C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C10H13NO2S/c1-11(2)10(13)7-14-9-5-3-8(12)4-6-9/h3-6,12H,7H2,1-2H3/i1+1,2+1
InChIKeyMUJRAHKXJXQLLH-ZDOIIHCHSA-N
MW213.27 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide (PubChem CID 90836837) has the molecular formula C10H13NO2S and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide
PubChem CID90836837
Molecular FormulaC10H13NO2S
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide
SMILES[13CH3]N([13CH3])C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C10H13NO2S/c1-11(2)10(13)7-14-9-5-3-8(12)4-6-9/h3-6,12H,7H2,1-2H3/i1+1,2+1
InChIKeyMUJRAHKXJXQLLH-ZDOIIHCHSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide (CID 90836837) is 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide is [13CH3]N([13CH3])C(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide?
The InChIKey is MUJRAHKXJXQLLH-ZDOIIHCHSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11(2)10(13)7-14-9-5-3-8(12)4-6-9/h3-6,12H,7H2,1-2H3/i1+1,2+1.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide has a molecular weight of 213.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N,N-di((113C)methyl)acetamide is sourced from PubChem (CID 90836837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).