N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C15H21BrN2OS — CID 104940419

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESC[C@@H](NC(=O)CSC1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyNFIWNBGJGUEXQV-LLVKDONJSA-N
MW357.32 g/mol
LogP3.11
Rot. Bonds5

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 104940419) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID104940419
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESC[C@@H](NC(=O)CSC1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyNFIWNBGJGUEXQV-LLVKDONJSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
CID 81376334
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 92854291
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 94823440
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 104940419) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is C[C@@H](NC(=O)CSC1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is NFIWNBGJGUEXQV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 357.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 104940419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).