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

C11H17ClN2S — CID 64630677

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1ncccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-4-10(13-3)8(2)15-11-9(12)6-5-7-14-11/h5-8,10,13H,4H2,1-3H3
InChIKeyFLUFGGWEZHISAL-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.21
Rot. Bonds5

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

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine (PubChem CID 64630677) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
PubChem CID64630677
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1ncccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-4-10(13-3)8(2)15-11-9(12)6-5-7-14-11/h5-8,10,13H,4H2,1-3H3
InChIKeyFLUFGGWEZHISAL-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine (CID 64630677) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine is CCC(NC)C(C)Sc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
The InChIKey is FLUFGGWEZHISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-4-10(13-3)8(2)15-11-9(12)6-5-7-14-11/h5-8,10,13H,4H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine has a molecular weight of 244.79 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine is sourced from PubChem (CID 64630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).