N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine

C13H19ClN2S — CID 64629049

IUPACN-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CSc1ncccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN2S/c1-2-7-15-12(10-5-6-10)9-17-13-11(14)4-3-8-16-13/h3-4,8,10,12,15H,2,5-7,9H2,1H3
InChIKeyIRDKULRAHGNWMI-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.61
Rot. Bonds7

About N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine

N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine (PubChem CID 64629049) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
PubChem CID64629049
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CSc1ncccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN2S/c1-2-7-15-12(10-5-6-10)9-17-13-11(14)4-3-8-16-13/h3-4,8,10,12,15H,2,5-7,9H2,1H3
InChIKeyIRDKULRAHGNWMI-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine (CID 64629049) is N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine is CCCNC(CSc1ncccc1Cl)C1CC1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine?
The InChIKey is IRDKULRAHGNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-2-7-15-12(10-5-6-10)9-17-13-11(14)4-3-8-16-13/h3-4,8,10,12,15H,2,5-7,9H2,1H3.
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine?
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine has a molecular weight of 270.83 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 64629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).