N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine

C13H20ClN3S — CID 62280716

IUPACN-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3S/c1-10(2)15-8-11-7-12(14)13(16-9-11)17-3-5-18-6-4-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyYZZMPLRGXJNZLM-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.79
Rot. Bonds4

About N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine

N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 62280716) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID62280716
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC NameN-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3S/c1-10(2)15-8-11-7-12(14)13(16-9-11)17-3-5-18-6-4-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyYZZMPLRGXJNZLM-UHFFFAOYSA-N
XLogP2.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (CID 62280716) is N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cnc(N2CCSCC2)c(Cl)c1.
What is the InChIKey of N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is YZZMPLRGXJNZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-10(2)15-8-11-7-12(14)13(16-9-11)17-3-5-18-6-4-17/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 285.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62280716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).