N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine

C20H24N4O3S2 — CID 36834207

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESC[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccsc3)nc3ccccc23)C[C@H](C)O1
InChIInChI=1S/C20H24N4O3S2/c1-14-11-24(12-15(2)27-14)29(25,26)10-8-21-20-17-5-3-4-6-18(17)22-19(23-20)16-7-9-28-13-16/h3-7,9,13-15H,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-/m0/s1
InChIKeyAAEHINLZJVBGKW-GJZGRUSLSA-N
MW432.57 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 36834207) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
PubChem CID36834207
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESC[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccsc3)nc3ccccc23)C[C@H](C)O1
InChIInChI=1S/C20H24N4O3S2/c1-14-11-24(12-15(2)27-14)29(25,26)10-8-21-20-17-5-3-4-6-18(17)22-19(23-20)16-7-9-28-13-16/h3-7,9,13-15H,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-/m0/s1
InChIKeyAAEHINLZJVBGKW-GJZGRUSLSA-N
XLogP3.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
CID 51943069
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
CID 171356984
[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
CID 166260662
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
CID 30725151
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453486

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine (CID 36834207) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine is C[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccsc3)nc3ccccc23)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is AAEHINLZJVBGKW-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-14-11-24(12-15(2)27-14)29(25,26)10-8-21-20-17-5-3-4-6-18(17)22-19(23-20)16-7-9-28-13-16/h3-7,9,13-15H,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 432.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 36834207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).