4-(1-sulfanylpiperidin-4-yl)morpholine

C9H18N2OS — CID 123604747

IUPAC4-(1-sulfanylpiperidin-4-yl)morpholine
SMILESSN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C9H18N2OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h9,13H,1-8H2
InChIKeySHVMNWANMCISSR-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.63
Rot. Bonds1

About 4-(1-sulfanylpiperidin-4-yl)morpholine

4-(1-sulfanylpiperidin-4-yl)morpholine (PubChem CID 123604747) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(1-sulfanylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(1-sulfanylpiperidin-4-yl)morpholine
PubChem CID123604747
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name4-(1-sulfanylpiperidin-4-yl)morpholine
SMILESSN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C9H18N2OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h9,13H,1-8H2
InChIKeySHVMNWANMCISSR-UHFFFAOYSA-N
XLogP0.63
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropylmorpholine;ethane
CID 155594914
4-piperidin-1-yl-1-sulfanylpiperidine
CID 90720397
4-(oxepan-4-yl)morpholine
CID 131201603
4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169926
4-(1-methoxypiperidin-4-yl)morpholine
CID 59857802
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
CID 142506557
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
5-cyclopentyl-1,5-oxazocane
CID 174168377
4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
CID 122679820

Frequently Asked Questions

What is the IUPAC name of 4-(1-sulfanylpiperidin-4-yl)morpholine?
The IUPAC name of 4-(1-sulfanylpiperidin-4-yl)morpholine (CID 123604747) is 4-(1-sulfanylpiperidin-4-yl)morpholine.
What is the SMILES notation for 4-(1-sulfanylpiperidin-4-yl)morpholine?
The canonical SMILES for 4-(1-sulfanylpiperidin-4-yl)morpholine is SN1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(1-sulfanylpiperidin-4-yl)morpholine?
The InChIKey is SHVMNWANMCISSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h9,13H,1-8H2.
What are the key properties of 4-(1-sulfanylpiperidin-4-yl)morpholine?
4-(1-sulfanylpiperidin-4-yl)morpholine has a molecular weight of 202.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-sulfanylpiperidin-4-yl)morpholine is sourced from PubChem (CID 123604747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).