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

C12H19ClN2S — CID 64630670

IUPAC1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
SMILESCCCC(CSc1ncccc1Cl)NCC
InChIInChI=1S/C12H19ClN2S/c1-3-6-10(14-4-2)9-16-12-11(13)7-5-8-15-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyFTFSUBOOIAOOGQ-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.61
Rot. Bonds7

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

1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine (PubChem CID 64630670) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
PubChem CID64630670
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
SMILESCCCC(CSc1ncccc1Cl)NCC
InChIInChI=1S/C12H19ClN2S/c1-3-6-10(14-4-2)9-16-12-11(13)7-5-8-15-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyFTFSUBOOIAOOGQ-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64629220
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
CID 64629049
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
CID 64631081
N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
CID 64633855
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
4-[(3-bromo-2-pyridinyl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927358
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
CID 64537037

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine (CID 64630670) is 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine is CCCC(CSc1ncccc1Cl)NCC.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine?
The InChIKey is FTFSUBOOIAOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-3-6-10(14-4-2)9-16-12-11(13)7-5-8-15-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine?
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine has a molecular weight of 258.82 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 1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine is sourced from PubChem (CID 64630670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).