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

C14H23N3S — CID 80629574

IUPACN-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCSCC1
InChIInChI=1S/C14H23N3S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17-4-6-18-7-5-17/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyMRENYQPVERFGFI-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.44
Rot. Bonds4

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

N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 80629574) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID80629574
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCSCC1
InChIInChI=1S/C14H23N3S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17-4-6-18-7-5-17/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyMRENYQPVERFGFI-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (CID 80629574) is N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1N1CCSCC1.
What is the InChIKey of N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is MRENYQPVERFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17-4-6-18-7-5-17/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 80629574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).