3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one

C9H18N2OS — CID 115734525

IUPAC3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCN)CCS1
InChIInChI=1S/C9H18N2OS/c1-2-8-7-11(5-6-13-8)9(12)3-4-10/h8H,2-7,10H2,1H3
InChIKeyZNIGCNVXVHQEPV-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.69
Rot. Bonds3

About 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one

3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one (PubChem CID 115734525) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
PubChem CID115734525
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCN)CCS1
InChIInChI=1S/C9H18N2OS/c1-2-8-7-11(5-6-13-8)9(12)3-4-10/h8H,2-7,10H2,1H3
InChIKeyZNIGCNVXVHQEPV-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
CID 103709580
2-[2-(2-ethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923875
2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119791744
3-(2-ethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899063
(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
CID 103831798
1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 71866646
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115740169
1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103709578
ethyl 7-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]heptanoate
CID 109486926
(2-ethylthiomorpholin-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 115661644
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one (CID 115734525) is 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one is CCC1CN(C(=O)CCN)CCS1.
What is the InChIKey of 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one?
The InChIKey is ZNIGCNVXVHQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-8-7-11(5-6-13-8)9(12)3-4-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one?
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 115734525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).