N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine

C11H17N3S — CID 62279310

IUPACN-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine
SMILESCNCc1cc(N2CCSCC2)ccn1
InChIInChI=1S/C11H17N3S/c1-12-9-10-8-11(2-3-13-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyUMMFAANQPIQCOT-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine

N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine (PubChem CID 62279310) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine
PubChem CID62279310
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine
SMILESCNCc1cc(N2CCSCC2)ccn1
InChIInChI=1S/C11H17N3S/c1-12-9-10-8-11(2-3-13-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyUMMFAANQPIQCOT-UHFFFAOYSA-N
XLogP1.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine (CID 62279310) is N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine is CNCc1cc(N2CCSCC2)ccn1.
What is the InChIKey of N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine?
The InChIKey is UMMFAANQPIQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-9-10-8-11(2-3-13-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3.
What are the key properties of N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine?
N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine has a molecular weight of 223.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-thiomorpholin-4-yl-2-pyridinyl)methanamine is sourced from PubChem (CID 62279310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).