1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine

C16H20ClN3S — CID 115940347

IUPAC1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Sc2ncccc2Cl)cn1
InChIInChI=1S/C16H20ClN3S/c1-3-9-18-14(4-2)15-8-7-12(11-20-15)21-16-13(17)6-5-10-19-16/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyDSRMGQCSUVUSCU-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.73
Rot. Bonds7

About 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine

1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine (PubChem CID 115940347) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine
PubChem CID115940347
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Sc2ncccc2Cl)cn1
InChIInChI=1S/C16H20ClN3S/c1-3-9-18-14(4-2)15-8-7-12(11-20-15)21-16-13(17)6-5-10-19-16/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyDSRMGQCSUVUSCU-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259
(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 103938223
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
5-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carbonitrile
CID 115489993
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine (CID 115940347) is 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(Sc2ncccc2Cl)cn1.
What is the InChIKey of 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine?
The InChIKey is DSRMGQCSUVUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-3-9-18-14(4-2)15-8-7-12(11-20-15)21-16-13(17)6-5-10-19-16/h5-8,10-11,14,18H,3-4,9H2,1-2H3.
What are the key properties of 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine?
1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine has a molecular weight of 321.88 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115940347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).