N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide

C16H19N3OS — CID 103938113

IUPACN-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCC[C@H](N)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C16H19N3OS/c1-3-15(17)16-9-8-14(10-18-16)21-13-6-4-12(5-7-13)19-11(2)20/h4-10,15H,3,17H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyKAJVOACQRWZBTR-HNNXBMFYSA-N
MW301.42 g/mol
LogP3.60
Rot. Bonds5

About N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide

N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide (PubChem CID 103938113) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
PubChem CID103938113
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCC[C@H](N)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C16H19N3OS/c1-3-15(17)16-9-8-14(10-18-16)21-13-6-4-12(5-7-13)19-11(2)20/h4-10,15H,3,17H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyKAJVOACQRWZBTR-HNNXBMFYSA-N
XLogP3.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 83123882
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082
1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585010
3-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]butan-1-ol
CID 103938234
6-[(1R)-1-aminopropyl]pyridin-3-ol
CID 55276418

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide (CID 103938113) is N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide is CC[C@H](N)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
The InChIKey is KAJVOACQRWZBTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-15(17)16-9-8-14(10-18-16)21-13-6-4-12(5-7-13)19-11(2)20/h4-10,15H,3,17H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide?
N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide has a molecular weight of 301.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 103938113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).