N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide

C11H22N2OS — CID 115634669

IUPACN,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H22N2OS/c1-5-12(6-2)11(14)13-7-8-15-10(4)9(13)3/h9-10H,5-8H2,1-4H3
InChIKeyCTOQSEKYDNRHSK-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.27
Rot. Bonds2

About N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide

N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide (PubChem CID 115634669) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
PubChem CID115634669
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C11H22N2OS/c1-5-12(6-2)11(14)13-7-8-15-10(4)9(13)3/h9-10H,5-8H2,1-4H3
InChIKeyCTOQSEKYDNRHSK-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2,3-dimethylthiomorpholine-4-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

2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
2-Methyl-3-ethyl-4-carboxamido-thiomorpholin
CID 12517889
N-ethyl-N-methylthiomorpholine-4-carboxamide
CID 58831853
1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea
CID 59831584
N,N,2,6-tetramethylthiomorpholine-4-carboxamide
CID 59881886
N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide
CID 59882063
N-(propan-2-yl)thiomorpholine-4-carboxamide
CID 89934333
N,2,6-trimethylthiomorpholine-4-carboxamide
CID 115660979
1-Tert-butyl-3-(1-methylsulfanylethyl)-1,3-diazinan-2-one
CID 131981928
1-(3-Butylsulfanylpropyl)-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 144237074
(2,6-Dimethylthiomorpholine-4-carbonyl)-methanidylazanium
CID 145753653
N-methyl-N-propylthiomorpholine-4-carboxamide
CID 160524630

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide (CID 115634669) is N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide is CCN(CC)C(=O)N1CCSC(C)C1C.
What is the InChIKey of N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide?
The InChIKey is CTOQSEKYDNRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-12(6-2)11(14)13-7-8-15-10(4)9(13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide?
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115634669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).