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

C14H23N3S — CID 105072830

IUPAC2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccncc1N1CCSCC1
InChIInChI=1S/C14H23N3S/c1-14(2,3)16-10-12-4-5-15-11-13(12)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3
InChIKeyLHBRFFBTZHUMEJ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.52
Rot. Bonds3

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

2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine (PubChem CID 105072830) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
PubChem CID105072830
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccncc1N1CCSCC1
InChIInChI=1S/C14H23N3S/c1-14(2,3)16-10-12-4-5-15-11-13(12)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3
InChIKeyLHBRFFBTZHUMEJ-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248241
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074010
N-[[3-(4,4-dimethylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074072
N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 107395279
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81246491
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074354
2-methyl-N-[[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105074737
N-methyl-1-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methanamine
CID 105072686
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine
CID 66456388
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105072687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine (CID 105072830) is 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine is CC(C)(C)NCc1ccncc1N1CCSCC1.
What is the InChIKey of 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is LHBRFFBTZHUMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2,3)16-10-12-4-5-15-11-13(12)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine?
2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 105072830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).