2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one

C12H22N2O2S — CID 107266231

IUPAC2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSC1(CNC(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2S/c1-10(13-9-12(17-2)3-4-12)11(15)14-5-7-16-8-6-14/h10,13H,3-9H2,1-2H3
InChIKeyMXZZWLOBSBLSPL-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.72
Rot. Bonds5

About 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 107266231) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID107266231
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSC1(CNC(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2S/c1-10(13-9-12(17-2)3-4-12)11(15)14-5-7-16-8-6-14/h10,13H,3-9H2,1-2H3
InChIKeyMXZZWLOBSBLSPL-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
1-(azepan-1-yl)-3-[(4-methylsulfanyloxan-4-yl)methylamino]butan-1-one
CID 84596043
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
N,N-diethyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanamide
CID 115588983
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
1-(azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
CID 107266190
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 107266231) is 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one is CSC1(CNC(C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MXZZWLOBSBLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10(13-9-12(17-2)3-4-12)11(15)14-5-7-16-8-6-14/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 258.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 107266231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).