5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one

C10H18N2O2S — CID 115102691

IUPAC5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
SMILESNCC1COCC(=O)N1C1CCCCS1
InChIInChI=1S/C10H18N2O2S/c11-5-8-6-14-7-9(13)12(8)10-3-1-2-4-15-10/h8,10H,1-7,11H2
InChIKeyZWZWUVRICURBMQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.42
Rot. Bonds2

About 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one

5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one (PubChem CID 115102691) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
PubChem CID115102691
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
SMILESNCC1COCC(=O)N1C1CCCCS1
InChIInChI=1S/C10H18N2O2S/c11-5-8-6-14-7-9(13)12(8)10-3-1-2-4-15-10/h8,10H,1-7,11H2
InChIKeyZWZWUVRICURBMQ-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102735
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
CID 115102433
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one (CID 115102691) is 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one is NCC1COCC(=O)N1C1CCCCS1.
What is the InChIKey of 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one?
The InChIKey is ZWZWUVRICURBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c11-5-8-6-14-7-9(13)12(8)10-3-1-2-4-15-10/h8,10H,1-7,11H2.
What are the key properties of 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one?
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one has a molecular weight of 230.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one is sourced from PubChem (CID 115102691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).