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

C11H18ClNO2S — CID 81211726

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)C1CCCS1
InChIInChI=1S/C11H18ClNO2S/c1-8-7-15-9(5-12)6-13(8)11(14)10-3-2-4-16-10/h8-10H,2-7H2,1H3
InChIKeyJCFSXHODFZSJFX-UHFFFAOYSA-N
MW263.79 g/mol
LogP1.74
Rot. Bonds2

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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone (PubChem CID 81211726) 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-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
PubChem CID81211726
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)C1CCCS1
InChIInChI=1S/C11H18ClNO2S/c1-8-7-15-9(5-12)6-13(8)11(14)10-3-2-4-16-10/h8-10H,2-7H2,1H3
InChIKeyJCFSXHODFZSJFX-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(4-Chlorobutanoyl)-4-(2-methoxyethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882822
5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide
CID 54875079
Ethyl 4-(5-chloropentanoyl)thiomorpholine-3-carboxylate
CID 54875308
[2-(Chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone
CID 81209556
[2-(Chloromethyl)morpholin-4-yl]-(thian-2-yl)methanone
CID 81209671
1-[2-(Chloromethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 81209771
[2-(Chloromethyl)morpholin-4-yl]-(thiolan-3-yl)methanone
CID 81209879
1-[2-(Chloromethyl)-5-methylmorpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 81211553
[2-(Chloromethyl)-5-methylmorpholin-4-yl]-(thian-2-yl)methanone
CID 81211727
[2-(Chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
CID 81212140
1-[2-(Chloromethyl)-5-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 81212541
[2-(Chloromethyl)morpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 81450764

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone (CID 81211726) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone is CC1COC(CCl)CN1C(=O)C1CCCS1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone?
The InChIKey is JCFSXHODFZSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-8-7-15-9(5-12)6-13(8)11(14)10-3-2-4-16-10/h8-10H,2-7H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone has a molecular weight of 263.79 g/mol, XLogP of 1.74, 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-2-yl)methanone is sourced from PubChem (CID 81211726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).