N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide

C12H23N3O2S — CID 83099882

IUPACN-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C1CNCC1SC
InChIInChI=1S/C12H23N3O2S/c1-3-14-12(16)10-8-17-5-4-15(10)9-6-13-7-11(9)18-2/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyRTGOLEMTMHZNPB-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.47
Rot. Bonds4

About N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide

N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide (PubChem CID 83099882) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
PubChem CID83099882
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C1CNCC1SC
InChIInChI=1S/C12H23N3O2S/c1-3-14-12(16)10-8-17-5-4-15(10)9-6-13-7-11(9)18-2/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyRTGOLEMTMHZNPB-UHFFFAOYSA-N
XLogP-0.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 83096218
N-ethyl-4-piperidin-4-ylmorpholine-3-carboxamide
CID 83100378
4-(2-cyanocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83097101
4-(4-aminocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83103910
4-(4-hydroxypyrrolidin-3-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100709
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
hydrazinyl 3-[3-(ethylcarbamoyl)morpholin-4-yl]propanoate
CID 83105070
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide (CID 83099882) is N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide is CCNC(=O)C1COCCN1C1CNCC1SC.
What is the InChIKey of N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The InChIKey is RTGOLEMTMHZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-14-12(16)10-8-17-5-4-15(10)9-6-13-7-11(9)18-2/h9-11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide has a molecular weight of 273.40 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83099882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).