2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide

C12H15BrN2O2S — CID 81184912

IUPAC2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C12H15BrN2O2S/c1-15(9-3-4-9)12(16)7-18(17)11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3
InChIKeyXBFZTPFIQHVVQK-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide

2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide (PubChem CID 81184912) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
PubChem CID81184912
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C12H15BrN2O2S/c1-15(9-3-4-9)12(16)7-18(17)11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3
InChIKeyXBFZTPFIQHVVQK-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81176174
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(3-aminophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81180904
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
3-(2-amino-4-bromophenyl)sulfinylpropanamide
CID 81186076
2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
CID 81185618
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
5-bromo-2-(oxan-4-ylmethylsulfinyl)aniline
CID 81185800
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide
CID 81206811

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide (CID 81184912) is 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide is CN(C(=O)CS(=O)c1ccc(Br)cc1N)C1CC1.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
The InChIKey is XBFZTPFIQHVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-15(9-3-4-9)12(16)7-18(17)11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3.
What are the key properties of 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide?
2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide has a molecular weight of 331.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81184912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).