[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone

C11H18ClNO2S — CID 81212140

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)C1CCSC1
InChIInChI=1S/C11H18ClNO2S/c1-8-6-15-10(4-12)5-13(8)11(14)9-2-3-16-7-9/h8-10H,2-7H2,1H3
InChIKeySXIKXIHKQKUGNS-UHFFFAOYSA-N
MW263.79 g/mol
LogP1.59
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone (PubChem CID 81212140) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
PubChem CID81212140
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)C1CCSC1
InChIInChI=1S/C11H18ClNO2S/c1-8-6-15-10(4-12)5-13(8)11(14)9-2-3-16-7-9/h8-10H,2-7H2,1H3
InChIKeySXIKXIHKQKUGNS-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone (CID 81212140) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone is CC1COC(CCl)CN1C(=O)C1CCSC1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone?
The InChIKey is SXIKXIHKQKUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-8-6-15-10(4-12)5-13(8)11(14)9-2-3-16-7-9/h8-10H,2-7H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone has a molecular weight of 263.79 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone is sourced from PubChem (CID 81212140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).