2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide

C20H28N2O3S2 — CID 166035107

IUPAC2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide
SMILESCc1cc([C@@H](C)NS(=O)C(C)(C)C)c2oc(N3CCSCC3)cc(=O)c2c1
InChIInChI=1S/C20H28N2O3S2/c1-13-10-15(14(2)21-27(24)20(3,4)5)19-16(11-13)17(23)12-18(25-19)22-6-8-26-9-7-22/h10-12,14,21H,6-9H2,1-5H3/t14-,27?/m1/s1
InChIKeyUZOYZWHDKWENSG-VPTPNUDRSA-N
MW408.59 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide (PubChem CID 166035107) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide
PubChem CID166035107
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC Name2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide
SMILESCc1cc([C@@H](C)NS(=O)C(C)(C)C)c2oc(N3CCSCC3)cc(=O)c2c1
InChIInChI=1S/C20H28N2O3S2/c1-13-10-15(14(2)21-27(24)20(3,4)5)19-16(11-13)17(23)12-18(25-19)22-6-8-26-9-7-22/h10-12,14,21H,6-9H2,1-5H3/t14-,27?/m1/s1
InChIKeyUZOYZWHDKWENSG-VPTPNUDRSA-N
XLogP3.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide (CID 166035107) is 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide is Cc1cc([C@@H](C)NS(=O)C(C)(C)C)c2oc(N3CCSCC3)cc(=O)c2c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide?
The InChIKey is UZOYZWHDKWENSG-VPTPNUDRSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-13-10-15(14(2)21-27(24)20(3,4)5)19-16(11-13)17(23)12-18(25-19)22-6-8-26-9-7-22/h10-12,14,21H,6-9H2,1-5H3/t14-,27?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide has a molecular weight of 408.59 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 166035107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).