[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone

C10H16ClNO2S — CID 81209556

IUPAC[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone
SMILESO=C(C1CCCS1)N1CCOC(CCl)C1
InChIInChI=1S/C10H16ClNO2S/c11-6-8-7-12(3-4-14-8)10(13)9-2-1-5-15-9/h8-9H,1-7H2
InChIKeyMKGAYNMUDHAFPQ-UHFFFAOYSA-N
MW249.76 g/mol
LogP1.35
Rot. Bonds2

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

[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone (PubChem CID 81209556) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone
PubChem CID81209556
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone
SMILESO=C(C1CCCS1)N1CCOC(CCl)C1
InChIInChI=1S/C10H16ClNO2S/c11-6-8-7-12(3-4-14-8)10(13)9-2-1-5-15-9/h8-9H,1-7H2
InChIKeyMKGAYNMUDHAFPQ-UHFFFAOYSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 51.35
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)morpholin-4-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone (CID 81209556) is [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone is O=C(C1CCCS1)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone?
The InChIKey is MKGAYNMUDHAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2S/c11-6-8-7-12(3-4-14-8)10(13)9-2-1-5-15-9/h8-9H,1-7H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone has a molecular weight of 249.76 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(thiolan-2-yl)methanone is sourced from PubChem (CID 81209556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).