[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

C14H18ClNO2S2 — CID 81261702

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18ClNO2S2/c1-9-7-18-11(5-15)6-16(9)14(17)13-4-10-8-19-3-2-12(10)20-13/h4,9,11H,2-3,5-8H2,1H3
InChIKeyRGPYUQSWFMEXGD-UHFFFAOYSA-N
MW331.89 g/mol
LogP3.01
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (PubChem CID 81261702) has the molecular formula C14H18ClNO2S2 and a molecular weight of 331.89 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
PubChem CID81261702
Molecular FormulaC14H18ClNO2S2
Molecular Weight331.89 g/mol
Exact Mass331.05
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18ClNO2S2/c1-9-7-18-11(5-15)6-16(9)14(17)13-4-10-8-19-3-2-12(10)20-13/h4,9,11H,2-3,5-8H2,1H3
InChIKeyRGPYUQSWFMEXGD-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 81211324
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone
CID 94053943
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965992
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81262008
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81261126
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (CID 81261702) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is CC1COC(CCl)CN1C(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The InChIKey is RGPYUQSWFMEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S2/c1-9-7-18-11(5-15)6-16(9)14(17)13-4-10-8-19-3-2-12(10)20-13/h4,9,11H,2-3,5-8H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone has a molecular weight of 331.89 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is sourced from PubChem (CID 81261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).