N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide

C12H21N3O3S — CID 83098467

IUPACN-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CSCN1
InChIInChI=1S/C12H21N3O3S/c1-8(2)14-11(16)10-5-18-4-3-15(10)12(17)9-6-19-7-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyADQOAWFQYVCANL-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.60
Rot. Bonds3

About N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide

N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide (PubChem CID 83098467) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide
PubChem CID83098467
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CSCN1
InChIInChI=1S/C12H21N3O3S/c1-8(2)14-11(16)10-5-18-4-3-15(10)12(17)9-6-19-7-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyADQOAWFQYVCANL-UHFFFAOYSA-N
XLogP-0.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methylpiperazine-2-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83101075
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
4-[4-(methylamino)oxolane-3-carbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098461
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
4-(6-oxopiperidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105143
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
CID 104901407
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide?
The IUPAC name of N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide (CID 83098467) is N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)C1CSCN1.
What is the InChIKey of N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide?
The InChIKey is ADQOAWFQYVCANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(2)14-11(16)10-5-18-4-3-15(10)12(17)9-6-19-7-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide?
N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide has a molecular weight of 287.38 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83098467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).