1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one

C13H25N3O2S — CID 106325630

IUPAC1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
SMILESCC(NCCN1CCSCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O2S/c1-12(13(17)16-4-8-18-9-5-16)14-2-3-15-6-10-19-11-7-15/h12,14H,2-11H2,1H3
InChIKeySNTPUUDPTLPCID-UHFFFAOYSA-N
MW287.43 g/mol
LogP-0.13
Rot. Bonds5

About 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one

1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one (PubChem CID 106325630) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
PubChem CID106325630
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
SMILESCC(NCCN1CCSCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O2S/c1-12(13(17)16-4-8-18-9-5-16)14-2-3-15-6-10-19-11-7-15/h12,14H,2-11H2,1H3
InChIKeySNTPUUDPTLPCID-UHFFFAOYSA-N
XLogP-0.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
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-methyl-1-morpholin-4-yl-3-thiomorpholin-4-ylpropane-1,3-dione
CID 173367116
1-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]pyridin-2-one
CID 115625430
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one (CID 106325630) is 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one is CC(NCCN1CCSCC1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one?
The InChIKey is SNTPUUDPTLPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(13(17)16-4-8-18-9-5-16)14-2-3-15-6-10-19-11-7-15/h12,14H,2-11H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one?
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one has a molecular weight of 287.43 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one is sourced from PubChem (CID 106325630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).