(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone

C10H18N2O2S — CID 115642022

IUPAC(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone
SMILESCC1CSCCN1C(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2S/c1-9-8-15-7-4-12(9)10(13)11-2-5-14-6-3-11/h9H,2-8H2,1H3
InChIKeyOFTZEXMNXRPUQF-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.88
Rot. Bonds

About (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone

(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone (PubChem CID 115642022) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone
PubChem CID115642022
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone
SMILESCC1CSCCN1C(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2S/c1-9-8-15-7-4-12(9)10(13)11-2-5-14-6-3-11/h9H,2-8H2,1H3
InChIKeyOFTZEXMNXRPUQF-UHFFFAOYSA-N
XLogP0.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethoxy-3-methylthiomorpholine-4-carboxamide
CID 130629111
3-methyl-1-(3-methylthiomorpholin-4-yl)-2-sulfanylbutan-1-one
CID 107030389
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291
(E)-1-(3-methylthiomorpholin-4-yl)pent-2-en-1-one
CID 131234104
N-cyclohexyl-3-methylthiomorpholine-4-carboxamide
CID 115642098
(1S,6R)-6-(3-methylthiomorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 104962462
2-ethyl-1-(3-methylthiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070550
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251388
2-methyl-1-morpholin-4-yl-3-thiomorpholin-4-ylpropane-1,3-dione
CID 173367116
2-(azetidin-3-ylidene)-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 116678001
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
2-[4-(3,4,5-trimethylpiperazine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 114538782

Frequently Asked Questions

What is the IUPAC name of (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone (CID 115642022) is (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone is CC1CSCCN1C(=O)N1CCOCC1.
What is the InChIKey of (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is OFTZEXMNXRPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9-8-15-7-4-12(9)10(13)11-2-5-14-6-3-11/h9H,2-8H2,1H3.
What are the key properties of (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone?
(3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 230.33 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiomorpholin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 115642022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).