N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide

C12H23N3O2S — CID 82908136

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-4-6-15(8-11(16)14(2)3)12(17)10-9-18-7-5-13-10/h10,13H,4-9H2,1-3H3
InChIKeyCRWMNHFDLXGIKM-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.02
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide (PubChem CID 82908136) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
PubChem CID82908136
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C12H23N3O2S/c1-4-6-15(8-11(16)14(2)3)12(17)10-9-18-7-5-13-10/h10,13H,4-9H2,1-3H3
InChIKeyCRWMNHFDLXGIKM-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
CID 82916144
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908467
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide (CID 82908136) is N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)C1CSCCN1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide?
The InChIKey is CRWMNHFDLXGIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-6-15(8-11(16)14(2)3)12(17)10-9-18-7-5-13-10/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82908136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).