N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide

C15H23BrN2OS — CID 119653858

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
SMILESCN(CC(C)(C)CN)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C15H23BrN2OS/c1-15(2,10-17)11-18(3)14(19)8-9-20-13-7-5-4-6-12(13)16/h4-7H,8-11,17H2,1-3H3
InChIKeyGHHPIKYWSOSOEE-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.37
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide

N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide (PubChem CID 119653858) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
PubChem CID119653858
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
SMILESCN(CC(C)(C)CN)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C15H23BrN2OS/c1-15(2,10-17)11-18(3)14(19)8-9-20-13-7-5-4-6-12(13)16/h4-7H,8-11,17H2,1-3H3
InChIKeyGHHPIKYWSOSOEE-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide (CID 119653858) is N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide is CN(CC(C)(C)CN)C(=O)CCSc1ccccc1Br.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is GHHPIKYWSOSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-15(2,10-17)11-18(3)14(19)8-9-20-13-7-5-4-6-12(13)16/h4-7H,8-11,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide?
N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 359.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 119653858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).