2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide

C19H32N4OS — CID 88838342

IUPAC2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide
SMILESCCCN(CCC)C(C(=S)NC)C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H32N4OS/c1-4-10-22(11-5-2)18(19(25)20-3)17(16-8-6-7-9-21-16)23-12-14-24-15-13-23/h6-9,17-18H,4-5,10-15H2,1-3H3,(H,20,25)
InChIKeyKNTRNNPVBFRAOK-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.49
Rot. Bonds9

About 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide

2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide (PubChem CID 88838342) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide
PubChem CID88838342
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide
SMILESCCCN(CCC)C(C(=S)NC)C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H32N4OS/c1-4-10-22(11-5-2)18(19(25)20-3)17(16-8-6-7-9-21-16)23-12-14-24-15-13-23/h6-9,17-18H,4-5,10-15H2,1-3H3,(H,20,25)
InChIKeyKNTRNNPVBFRAOK-UHFFFAOYSA-N
XLogP2.49
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide?
The IUPAC name of 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide (CID 88838342) is 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide.
What is the SMILES notation for 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide?
The canonical SMILES for 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide is CCCN(CCC)C(C(=S)NC)C(c1ccccn1)N1CCOCC1.
What is the InChIKey of 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide?
The InChIKey is KNTRNNPVBFRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-4-10-22(11-5-2)18(19(25)20-3)17(16-8-6-7-9-21-16)23-12-14-24-15-13-23/h6-9,17-18H,4-5,10-15H2,1-3H3,(H,20,25).
What are the key properties of 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide?
2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide has a molecular weight of 364.56 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide is sourced from PubChem (CID 88838342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).