N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C15H24ClN3S — CID 114926562

IUPACN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(N2CCSCC2C)ncc1Cl
InChIInChI=1S/C15H24ClN3S/c1-11(2)7-17-8-13-6-15(18-9-14(13)16)19-4-5-20-10-12(19)3/h6,9,11-12,17H,4-5,7-8,10H2,1-3H3
InChIKeyJHVVMJBCAWBLOI-UHFFFAOYSA-N
MW313.90 g/mol
LogP3.42
Rot. Bonds5

About N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114926562) has the molecular formula C15H24ClN3S and a molecular weight of 313.90 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114926562
Molecular FormulaC15H24ClN3S
Molecular Weight313.90 g/mol
Exact Mass313.14
IUPAC NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(N2CCSCC2C)ncc1Cl
InChIInChI=1S/C15H24ClN3S/c1-11(2)7-17-8-13-6-15(18-9-14(13)16)19-4-5-20-10-12(19)3/h6,9,11-12,17H,4-5,7-8,10H2,1-3H3
InChIKeyJHVVMJBCAWBLOI-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
N-[[5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927246
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917
N-[[5-chloro-2-(4-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927370
N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927439
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927432
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114926562) is N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(N2CCSCC2C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JHVVMJBCAWBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3S/c1-11(2)7-17-8-13-6-15(18-9-14(13)16)19-4-5-20-10-12(19)3/h6,9,11-12,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 313.90 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114926562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).