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

C15H24ClN3S — CID 114926559

IUPACN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CSCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H24ClN3S/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyPAEHOKTWVODPSG-UHFFFAOYSA-N
MW313.90 g/mol
LogP3.56
Rot. Bonds3

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

N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114926559) 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-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114926559
Molecular FormulaC15H24ClN3S
Molecular Weight313.90 g/mol
Exact Mass313.14
IUPAC NameN-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CSCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H24ClN3S/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyPAEHOKTWVODPSG-UHFFFAOYSA-N
XLogP3.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 53.56
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-1-amine
CID 114926562
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926447
N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925386
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927307
3-methyl-4-pyrazin-2-ylthiomorpholine
CID 131155886
5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836482
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-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114926559) is N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC1CSCCN1c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PAEHOKTWVODPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3S/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 313.90 g/mol, XLogP of 3.56, 3 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-2-amine is sourced from PubChem (CID 114926559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).