2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide

C9H11N3O3S — CID 81180380

IUPAC2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)c1cccc(N)c1
InChIInChI=1S/C9H11N3O3S/c10-6-2-1-3-7(4-6)16(15)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKeyYUXSRCZFXRXWMS-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.43
Rot. Bonds3

About 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide

2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide (PubChem CID 81180380) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
PubChem CID81180380
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)c1cccc(N)c1
InChIInChI=1S/C9H11N3O3S/c10-6-2-1-3-7(4-6)16(15)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKeyYUXSRCZFXRXWMS-UHFFFAOYSA-N
XLogP-0.43
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfinylacetamide
CID 81180355
2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81180904
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
3-(3-aminophenyl)sulfinylsulfinylaniline
CID 102249291
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
3-(methoxymethylsulfinyl)aniline
CID 81180021
5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63946377
4-[(3-aminophenyl)sulfinylmethyl]phenol
CID 81181347
3-(2-phenylethylsulfinyl)aniline
CID 81180374
3-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935213
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
CID 61303387

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide (CID 81180380) is 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide is NC(=O)NC(=O)CS(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide?
The InChIKey is YUXSRCZFXRXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-6-2-1-3-7(4-6)16(15)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14).
What are the key properties of 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide?
2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide has a molecular weight of 241.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide is sourced from PubChem (CID 81180380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).