4-[2-(azetidin-3-yl)ethyl]thiomorpholine

C9H18N2S — CID 116679313

IUPAC4-[2-(azetidin-3-yl)ethyl]thiomorpholine
SMILESC1CN(CCC2CNC2)CCS1
InChIInChI=1S/C9H18N2S/c1(9-7-10-8-9)2-11-3-5-12-6-4-11/h9-10H,1-8H2
InChIKeyQJLCMNUSXGHCBS-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.64
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]thiomorpholine

4-[2-(azetidin-3-yl)ethyl]thiomorpholine (PubChem CID 116679313) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]thiomorpholine
PubChem CID116679313
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-[2-(azetidin-3-yl)ethyl]thiomorpholine
SMILESC1CN(CCC2CNC2)CCS1
InChIInChI=1S/C9H18N2S/c1(9-7-10-8-9)2-11-3-5-12-6-4-11/h9-10H,1-8H2
InChIKeyQJLCMNUSXGHCBS-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azetidin-3-yl)thiomorpholine;dihydrochloride
CID 69632337
4-[2-(Azetidin-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 116679442
4-Methyl-2-propan-2-ylthiomorpholin-4-ium
CID 173279056
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)butan-1-amine
CID 62262516
4-(Pyrrolidin-3-ylmethyl)thiomorpholine
CID 62370893
N-(2-methylpropyl)-5-thiomorpholin-4-ylpentan-1-amine
CID 62418084
N-(2-methylpropyl)-4-thiomorpholin-4-ylbutan-1-amine
CID 62418647
3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 62574167
4-(2,6-dimethylthiomorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 64117847
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]-3-methylbutan-1-amine
CID 64120051
2-(Thiomorpholin-4-ylmethyl)butan-1-amine
CID 65227809
3-Methyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
CID 65227810

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]thiomorpholine (CID 116679313) is 4-[2-(azetidin-3-yl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]thiomorpholine is C1CN(CCC2CNC2)CCS1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]thiomorpholine?
The InChIKey is QJLCMNUSXGHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1(9-7-10-8-9)2-11-3-5-12-6-4-11/h9-10H,1-8H2.
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]thiomorpholine?
4-[2-(azetidin-3-yl)ethyl]thiomorpholine has a molecular weight of 186.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]thiomorpholine is sourced from PubChem (CID 116679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).