2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone

C17H24N2O3S2 — CID 95880591

IUPAC2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone
SMILESCCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)N2CCSCC2)cs1
InChIInChI=1S/C17H24N2O3S2/c1-2-15-9-13(12-24-15)17(21)19-3-6-22-11-14(19)10-16(20)18-4-7-23-8-5-18/h9,12,14H,2-8,10-11H2,1H3/t14-/m0/s1
InChIKeyVBHLVMIEAXFDEQ-AWEZNQCLSA-N
MW368.52 g/mol
LogP2.12
Rot. Bonds4

About 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone

2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone (PubChem CID 95880591) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone
PubChem CID95880591
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC Name2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone
SMILESCCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)N2CCSCC2)cs1
InChIInChI=1S/C17H24N2O3S2/c1-2-15-9-13(12-24-15)17(21)19-3-6-22-11-14(19)10-16(20)18-4-7-23-8-5-18/h9,12,14H,2-8,10-11H2,1H3/t14-/m0/s1
InChIKeyVBHLVMIEAXFDEQ-AWEZNQCLSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
1-[(3S)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95871651
(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
CID 95867228
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
1-[(1S,5R)-6-(5-ethylthiophene-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 72903507
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
2-[4-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)morpholin-3-yl]acetic acid
CID 56907370
4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one
CID 56889319

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone (CID 95880591) is 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone is CCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)N2CCSCC2)cs1.
What is the InChIKey of 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone?
The InChIKey is VBHLVMIEAXFDEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-2-15-9-13(12-24-15)17(21)19-3-6-22-11-14(19)10-16(20)18-4-7-23-8-5-18/h9,12,14H,2-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone?
2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone has a molecular weight of 368.52 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 95880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).