3-morpholin-4-ylthiolane-3-carbonitrile

C9H14N2OS — CID 3459329

IUPAC3-morpholin-4-ylthiolane-3-carbonitrile
SMILESN#CC1(N2CCOCC2)CCSC1
InChIInChI=1S/C9H14N2OS/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11/h1-6,8H2
InChIKeyYBWQVWYKKNEJDD-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.72
Rot. Bonds1

About 3-morpholin-4-ylthiolane-3-carbonitrile

3-morpholin-4-ylthiolane-3-carbonitrile (PubChem CID 3459329) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-morpholin-4-ylthiolane-3-carbonitrile.

Molecular Properties

Compound Name3-morpholin-4-ylthiolane-3-carbonitrile
PubChem CID3459329
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-morpholin-4-ylthiolane-3-carbonitrile
SMILESN#CC1(N2CCOCC2)CCSC1
InChIInChI=1S/C9H14N2OS/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11/h1-6,8H2
InChIKeyYBWQVWYKKNEJDD-UHFFFAOYSA-N
XLogP0.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile
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(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
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2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
CID 130555203
4-piperazin-1-yloxepane-4-carbonitrile
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4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]benzonitrile
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5-fluoro-2-[(3-morpholin-4-ylthiolan-3-yl)methylamino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylthiolane-3-carbonitrile?
The IUPAC name of 3-morpholin-4-ylthiolane-3-carbonitrile (CID 3459329) is 3-morpholin-4-ylthiolane-3-carbonitrile.
What is the SMILES notation for 3-morpholin-4-ylthiolane-3-carbonitrile?
The canonical SMILES for 3-morpholin-4-ylthiolane-3-carbonitrile is N#CC1(N2CCOCC2)CCSC1.
What is the InChIKey of 3-morpholin-4-ylthiolane-3-carbonitrile?
The InChIKey is YBWQVWYKKNEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11/h1-6,8H2.
What are the key properties of 3-morpholin-4-ylthiolane-3-carbonitrile?
3-morpholin-4-ylthiolane-3-carbonitrile has a molecular weight of 198.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylthiolane-3-carbonitrile is sourced from PubChem (CID 3459329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).