3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide

C15H21BrN2OS — CID 119444658

IUPAC3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCSc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C15H21BrN2OS/c1-18(13-6-9-17-10-7-13)15(19)8-11-20-14-4-2-12(16)3-5-14/h2-5,13,17H,6-11H2,1H3
InChIKeyKXZUQDXJHAIKSS-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.14
Rot. Bonds5

About 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide

3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 119444658) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID119444658
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCSc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C15H21BrN2OS/c1-18(13-6-9-17-10-7-13)15(19)8-11-20-14-4-2-12(16)3-5-14/h2-5,13,17H,6-11H2,1H3
InChIKeyKXZUQDXJHAIKSS-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551624
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
3-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55997454
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide (CID 119444658) is 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide is CN(C(=O)CCSc1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is KXZUQDXJHAIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-18(13-6-9-17-10-7-13)15(19)8-11-20-14-4-2-12(16)3-5-14/h2-5,13,17H,6-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide?
3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 357.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).