1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one

C9H18N2O2S — CID 114398267

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CN)C1
InChIInChI=1S/C9H18N2O2S/c1-14-5-2-9(12)11-3-4-13-8(6-10)7-11/h8H,2-7,10H2,1H3
InChIKeyNJDMJRVZQCMJTJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.07
Rot. Bonds4

About 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one

1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one (PubChem CID 114398267) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
PubChem CID114398267
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CN)C1
InChIInChI=1S/C9H18N2O2S/c1-14-5-2-9(12)11-3-4-13-8(6-10)7-11/h8H,2-7,10H2,1H3
InChIKeyNJDMJRVZQCMJTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[2-(aminomethyl)morpholin-4-yl]but-2-yn-1-one
CID 107990828
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
CID 103840827
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one (CID 114398267) is 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCOC(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is NJDMJRVZQCMJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14-5-2-9(12)11-3-4-13-8(6-10)7-11/h8H,2-7,10H2,1H3.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 114398267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).