2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide

C11H15BrN2OS — CID 43306070

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccc(Br)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H15BrN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyTXVMMQGSVOMSQM-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide

2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 43306070) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID43306070
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccc(Br)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H15BrN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyTXVMMQGSVOMSQM-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.60
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-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43304318
2-(2-amino-5-bromophenyl)sulfanyl-N,N-diethylpropanamide
CID 79533528
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
CID 66103687
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
2-(2-amino-4-bromophenyl)sulfanyl-3-methoxypropanoic acid
CID 103224265
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
2-(2-amino-4-bromophenyl)sulfanyl-N,N-diethylacetamide
CID 43306118
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
2-(5-bromo-2-carbamothioylanilino)-N,N-dimethylpropanamide
CID 114902916

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide (CID 43306070) is 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide is CC(Sc1ccc(Br)cc1N)C(=O)N(C)C.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is TXVMMQGSVOMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3.
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide?
2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 2.60, 3 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)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 43306070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).