N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide

C11H21N3O3S — CID 113410105

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CSCCN1
InChIInChI=1S/C11H21N3O3S/c1-17-6-4-13-10(15)2-3-14-11(16)9-8-18-7-5-12-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyXTFRUFHKQXRFQI-UHFFFAOYSA-N
MW275.37 g/mol
LogP-1.04
Rot. Bonds7

About N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide (PubChem CID 113410105) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
PubChem CID113410105
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CSCCN1
InChIInChI=1S/C11H21N3O3S/c1-17-6-4-13-10(15)2-3-14-11(16)9-8-18-7-5-12-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyXTFRUFHKQXRFQI-UHFFFAOYSA-N
XLogP-1.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176
N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119274167

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide (CID 113410105) is N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide is COCCNC(=O)CCNC(=O)C1CSCCN1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide?
The InChIKey is XTFRUFHKQXRFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-17-6-4-13-10(15)2-3-14-11(16)9-8-18-7-5-12-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of -1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 113410105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).