methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate

C10H12N2O3S — CID 79133966

IUPACmethyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
SMILESCOC(=O)NC(=O)CSc1cccc(N)c1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)12-9(13)6-16-8-4-2-3-7(11)5-8/h2-5H,6,11H2,1H3,(H,12,13,14)
InChIKeyKRUMUIAPLQFSRX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.24
Rot. Bonds3

About methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate

methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate (PubChem CID 79133966) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
PubChem CID79133966
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
SMILESCOC(=O)NC(=O)CSc1cccc(N)c1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)12-9(13)6-16-8-4-2-3-7(11)5-8/h2-5H,6,11H2,1H3,(H,12,13,14)
InChIKeyKRUMUIAPLQFSRX-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676
methyl (3-aminophenyl)sulfanylformate
CID 150310713
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79133329
methyl 4-[(3-aminophenyl)sulfanylmethyl]benzoate
CID 69486449

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate?
The IUPAC name of methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate (CID 79133966) is methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate?
The canonical SMILES for methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate is COC(=O)NC(=O)CSc1cccc(N)c1.
What is the InChIKey of methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate?
The InChIKey is KRUMUIAPLQFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-10(14)12-9(13)6-16-8-4-2-3-7(11)5-8/h2-5H,6,11H2,1H3,(H,12,13,14).
What are the key properties of methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate?
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate has a molecular weight of 240.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate is sourced from PubChem (CID 79133966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).