6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one

C22H26N2O3S — CID 9265997

IUPAC6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CNC[C@@H](c3cccs3)N3CCOCC3)c2cc1C
InChIInChI=1S/C22H26N2O3S/c1-15-10-18-17(12-22(25)27-20(18)11-16(15)2)13-23-14-19(21-4-3-9-28-21)24-5-7-26-8-6-24/h3-4,9-12,19,23H,5-8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyDXSGWPGKSJFIGY-IBGZPJMESA-N
MW398.53 g/mol
LogP3.63
Rot. Bonds6

About 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one

6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one (PubChem CID 9265997) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
PubChem CID9265997
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CNC[C@@H](c3cccs3)N3CCOCC3)c2cc1C
InChIInChI=1S/C22H26N2O3S/c1-15-10-18-17(12-22(25)27-20(18)11-16(15)2)13-23-14-19(21-4-3-9-28-21)24-5-7-26-8-6-24/h3-4,9-12,19,23H,5-8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyDXSGWPGKSJFIGY-IBGZPJMESA-N
XLogP3.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one with MolForge

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Related Compounds

7-methyl-6-propan-2-yl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9263164
1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
CID 84967087
3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573034
4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 9256891
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
6,7-dimethyl-4-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]chromen-2-one
CID 9051367
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 17463435
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 47008131
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine;hydrochloride
CID 47008130
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one?
The IUPAC name of 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one (CID 9265997) is 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one?
The canonical SMILES for 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one is Cc1cc2oc(=O)cc(CNC[C@@H](c3cccs3)N3CCOCC3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one?
The InChIKey is DXSGWPGKSJFIGY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15-10-18-17(12-22(25)27-20(18)11-16(15)2)13-23-14-19(21-4-3-9-28-21)24-5-7-26-8-6-24/h3-4,9-12,19,23H,5-8,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one?
6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one has a molecular weight of 398.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one is sourced from PubChem (CID 9265997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).