N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide

C12H25N3OS — CID 82909094

IUPACN-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CSCCN1
InChIInChI=1S/C12H25N3OS/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPZTBMQJBVJIVAO-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.54
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide

N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide (PubChem CID 82909094) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
PubChem CID82909094
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CSCCN1
InChIInChI=1S/C12H25N3OS/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPZTBMQJBVJIVAO-UHFFFAOYSA-N
XLogP0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide 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

N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
CID 82908664
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide (CID 82909094) is N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide is CCN(CC)CC(C)NC(=O)C1CSCCN1.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide?
The InChIKey is PZTBMQJBVJIVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide?
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide has a molecular weight of 259.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).