N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

C17H22N2OS — CID 83111631

IUPACN-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2cccc(OC)c2)cn1
InChIInChI=1S/C17H22N2OS/c1-4-10-18-13(2)17-9-8-16(12-19-17)21-15-7-5-6-14(11-15)20-3/h5-9,11-13,18H,4,10H2,1-3H3
InChIKeyNBYBLJMDGXFENX-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.30
Rot. Bonds7

About N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83111631) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83111631
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2cccc(OC)c2)cn1
InChIInChI=1S/C17H22N2OS/c1-4-10-18-13(2)17-9-8-16(12-19-17)21-15-7-5-6-14(11-15)20-3/h5-9,11-13,18H,4,10H2,1-3H3
InChIKeyNBYBLJMDGXFENX-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585010
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
N-ethyl-1-[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83111596
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 83111053
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
CID 83124242
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 83123991
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123803
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (CID 83111631) is N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Sc2cccc(OC)c2)cn1.
What is the InChIKey of N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is NBYBLJMDGXFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-10-18-13(2)17-9-8-16(12-19-17)21-15-7-5-6-14(11-15)20-3/h5-9,11-13,18H,4,10H2,1-3H3.
What are the key properties of N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83111631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).