N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide

C12H16N2O3S2 — CID 107034016

IUPACN-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(S)cs1
InChIInChI=1S/C12H16N2O3S2/c1-2-13-11(15)9-6-17-4-3-14(9)12(16)10-5-8(18)7-19-10/h5,7,9,18H,2-4,6H2,1H3,(H,13,15)
InChIKeyXYPAPXOXKUOBNC-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.01
Rot. Bonds3

About N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide

N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide (PubChem CID 107034016) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
PubChem CID107034016
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC NameN-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(S)cs1
InChIInChI=1S/C12H16N2O3S2/c1-2-13-11(15)9-6-17-4-3-14(9)12(16)10-5-8(18)7-19-10/h5,7,9,18H,2-4,6H2,1H3,(H,13,15)
InChIKeyXYPAPXOXKUOBNC-UHFFFAOYSA-N
XLogP1.01
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide (CID 107034016) is N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cc(S)cs1.
What is the InChIKey of N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide?
The InChIKey is XYPAPXOXKUOBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-2-13-11(15)9-6-17-4-3-14(9)12(16)10-5-8(18)7-19-10/h5,7,9,18H,2-4,6H2,1H3,(H,13,15).
What are the key properties of N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide?
N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 107034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).