N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide

C13H19BrN2O2S — CID 81329247

IUPACN-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-2-8-15)13(17)7-10-19(18)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyQGZHXXDPJUVYQU-UHFFFAOYSA-N
MW347.28 g/mol
LogP1.75
Rot. Bonds7

About N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide

N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide (PubChem CID 81329247) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
PubChem CID81329247
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-2-8-15)13(17)7-10-19(18)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyQGZHXXDPJUVYQU-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-(4-bromophenyl)sulfinyl]-N-methyl-N-propylbutanamide
CID 95312186
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
CID 81329335
5-(4-bromophenyl)sulfinylpentan-1-amine
CID 81328453
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
N-(2-aminoethyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119385098
4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
CID 95323115
N-(3-aminopropyl)-N-methyl-3-propan-2-ylsulfinylpropanamide
CID 81329073
2-[4-(4-bromophenyl)sulfinylbutanoyl-ethylamino]acetic acid
CID 119205783
N-(2-cyanoethyl)-N-methyl-3-(4-propan-2-ylphenyl)sulfinylpropanamide
CID 64692307
N-(3-aminopropyl)-2-(2-bromophenyl)sulfinyl-N-methylacetamide
CID 81329256
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide (CID 81329247) is N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide is CN(CCCN)C(=O)CCS(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide?
The InChIKey is QGZHXXDPJUVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(9-2-8-15)13(17)7-10-19(18)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide?
N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide has a molecular weight of 347.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide is sourced from PubChem (CID 81329247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).