2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide

C11H13BrN2O2S — CID 81207741

IUPAC2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
SMILESNc1ccc(Br)cc1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O2S/c12-7-1-4-9(13)10(5-7)17(16)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyGHORAVUSYUKZMA-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.42
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide

2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide (PubChem CID 81207741) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
PubChem CID81207741
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
SMILESNc1ccc(Br)cc1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O2S/c12-7-1-4-9(13)10(5-7)17(16)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyGHORAVUSYUKZMA-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
CID 81201540
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 63098374
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 81181407
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
CID 81185115
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide (CID 81207741) is 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide is Nc1ccc(Br)cc1S(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide?
The InChIKey is GHORAVUSYUKZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c12-7-1-4-9(13)10(5-7)17(16)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide?
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide has a molecular weight of 317.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide is sourced from PubChem (CID 81207741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).