N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide

C15H17N3OS — CID 83123882

IUPACN-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc([C@@H](C)N)nc2)cc1
InChIInChI=1S/C15H17N3OS/c1-10(16)15-8-7-14(9-17-15)20-13-5-3-12(4-6-13)18-11(2)19/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyYBEODBLYCJSYOV-SNVBAGLBSA-N
MW287.39 g/mol
LogP3.21
Rot. Bonds4

About N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide

N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide (PubChem CID 83123882) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
PubChem CID83123882
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc([C@@H](C)N)nc2)cc1
InChIInChI=1S/C15H17N3OS/c1-10(16)15-8-7-14(9-17-15)20-13-5-3-12(4-6-13)18-11(2)19/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyYBEODBLYCJSYOV-SNVBAGLBSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 103938113
1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123718
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123179
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 63731436
1-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
CID 83124206
(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine
CID 107750761
2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
CID 83124142
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine
CID 83124392

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide (CID 83123882) is N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc([C@@H](C)N)nc2)cc1.
What is the InChIKey of N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The InChIKey is YBEODBLYCJSYOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10(16)15-8-7-14(9-17-15)20-13-5-3-12(4-6-13)18-11(2)19/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide has a molecular weight of 287.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 83123882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).