N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide

C15H32N4OS — CID 82897683

IUPACN,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C15H32N4OS/c1-17(2)8-5-10-19(11-6-9-18(3)4)15(20)14-13-21-12-7-16-14/h14,16H,5-13H2,1-4H3
InChIKeyGUHXONISZUJKEV-UHFFFAOYSA-N
MW316.51 g/mol
LogP0.42
Rot. Bonds9

About N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide

N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide (PubChem CID 82897683) has the molecular formula C15H32N4OS and a molecular weight of 316.51 g/mol. Its IUPAC name is N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
PubChem CID82897683
Molecular FormulaC15H32N4OS
Molecular Weight316.51 g/mol
Exact Mass316.23
IUPAC NameN,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C15H32N4OS/c1-17(2)8-5-10-19(11-6-9-18(3)4)15(20)14-13-21-12-7-16-14/h14,16H,5-13H2,1-4H3
InChIKeyGUHXONISZUJKEV-UHFFFAOYSA-N
XLogP0.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-bis[3-(dimethylamino)propyl]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,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 54874369
(2R)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93376713
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908467
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
CID 82916144

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide?
The IUPAC name of N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide (CID 82897683) is N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide is CN(C)CCCN(CCCN(C)C)C(=O)C1CSCCN1.
What is the InChIKey of N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide?
The InChIKey is GUHXONISZUJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4OS/c1-17(2)8-5-10-19(11-6-9-18(3)4)15(20)14-13-21-12-7-16-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide?
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide has a molecular weight of 316.51 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82897683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).