N-methoxyacetamide;phenylmethanethiol

C10H15NO2S — CID 174821078

IUPACN-methoxyacetamide;phenylmethanethiol
SMILESCONC(C)=O.SCc1ccccc1
InChIInChI=1S/C7H8S.C3H7NO2/c8-6-7-4-2-1-3-5-7;1-3(5)4-6-2/h1-5,8H,6H2;1-2H3,(H,4,5)
InChIKeyRCCDHBTVRMSRQF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.80
Rot. Bonds2

About N-methoxyacetamide;phenylmethanethiol

N-methoxyacetamide;phenylmethanethiol (PubChem CID 174821078) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-methoxyacetamide;phenylmethanethiol.

Molecular Properties

Compound NameN-methoxyacetamide;phenylmethanethiol
PubChem CID174821078
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-methoxyacetamide;phenylmethanethiol
SMILESCONC(C)=O.SCc1ccccc1
InChIInChI=1S/C7H8S.C3H7NO2/c8-6-7-4-2-1-3-5-7;1-3(5)4-6-2/h1-5,8H,6H2;1-2H3,(H,4,5)
InChIKeyRCCDHBTVRMSRQF-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 142299066
N-[3-(sulfanylmethyl)phenyl]acetamide
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phenylmethanethiol;propane
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methyl acetate;phenylmethanol
CID 174674344
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
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CID 174899473
methoxymethylbenzene;methyl acetate
CID 54330728
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
ethylbenzene;guanidine;methyl acetate
CID 174603954
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 3-benzyl-2-methylpenta-2,4-dienoate
CID 174507685
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of N-methoxyacetamide;phenylmethanethiol?
The IUPAC name of N-methoxyacetamide;phenylmethanethiol (CID 174821078) is N-methoxyacetamide;phenylmethanethiol.
What is the SMILES notation for N-methoxyacetamide;phenylmethanethiol?
The canonical SMILES for N-methoxyacetamide;phenylmethanethiol is CONC(C)=O.SCc1ccccc1.
What is the InChIKey of N-methoxyacetamide;phenylmethanethiol?
The InChIKey is RCCDHBTVRMSRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.C3H7NO2/c8-6-7-4-2-1-3-5-7;1-3(5)4-6-2/h1-5,8H,6H2;1-2H3,(H,4,5).
What are the key properties of N-methoxyacetamide;phenylmethanethiol?
N-methoxyacetamide;phenylmethanethiol has a molecular weight of 213.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyacetamide;phenylmethanethiol is sourced from PubChem (CID 174821078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).