1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone

C11H20N2O3S — CID 113405957

IUPAC1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone
SMILESO=C(CNC1CCS(=O)CC1)N1CCOCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-3-5-16-6-4-13)9-12-10-1-7-17(15)8-2-10/h10,12H,1-9H2
InChIKeyHWXVSSLUERPGRI-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.65
Rot. Bonds3

About 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone

1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone (PubChem CID 113405957) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone
PubChem CID113405957
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone
SMILESO=C(CNC1CCS(=O)CC1)N1CCOCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-3-5-16-6-4-13)9-12-10-1-7-17(15)8-2-10/h10,12H,1-9H2
InChIKeyHWXVSSLUERPGRI-UHFFFAOYSA-N
XLogP-0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 60977351
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093
2-[(3-methylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 43317875
2-[(2,2-diethyloxan-4-yl)amino]-1-morpholin-4-ylethanone
CID 83033676
2-[(3-ethyl-2-methylcyclopentyl)amino]-1-morpholin-4-ylethanone
CID 64921969
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
2-[(2,6-dimethylpiperidin-1-yl)amino]-1-morpholin-4-ylethanone
CID 83021120
2-[(2-methoxycyclopentyl)amino]-1-morpholin-4-ylethanone
CID 62086617
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone (CID 113405957) is 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone is O=C(CNC1CCS(=O)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone?
The InChIKey is HWXVSSLUERPGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(13-3-5-16-6-4-13)9-12-10-1-7-17(15)8-2-10/h10,12H,1-9H2.
What are the key properties of 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone?
1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone has a molecular weight of 260.36 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]ethanone is sourced from PubChem (CID 113405957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).