4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine

C24H46N2O3S2 — CID 176568146

IUPAC4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine
SMILESCC(C)OCC1(CN2CCS(=O)CC2)CC1.CC(C)OCC1(CN2CCSCC2)CC1
InChIInChI=1S/C12H23NO2S.C12H23NOS/c1-11(2)15-10-12(3-4-12)9-13-5-7-16(14)8-6-13;1-11(2)14-10-12(3-4-12)9-13-5-7-15-8-6-13/h11H,3-10H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyCCNCTIVHWVQTNU-UHFFFAOYSA-N
MW474.78 g/mol
LogP3.50
Rot. Bonds10

About 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine

4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine (PubChem CID 176568146) has the molecular formula C24H46N2O3S2 and a molecular weight of 474.78 g/mol. Its IUPAC name is 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine
PubChem CID176568146
Molecular FormulaC24H46N2O3S2
Molecular Weight474.78 g/mol
Exact Mass474.29
IUPAC Name4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine
SMILESCC(C)OCC1(CN2CCS(=O)CC2)CC1.CC(C)OCC1(CN2CCSCC2)CC1
InChIInChI=1S/C12H23NO2S.C12H23NOS/c1-11(2)15-10-12(3-4-12)9-13-5-7-16(14)8-6-13;1-11(2)14-10-12(3-4-12)9-13-5-7-15-8-6-13/h11H,3-10H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyCCNCTIVHWVQTNU-UHFFFAOYSA-N
XLogP3.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine with MolForge

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Related Compounds

4-[[1-(1-iodoethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 176926791
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 170601732
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one
CID 170420198
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
7-methyl-2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 170676348
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
CID 63129878
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
CID 62392754

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine?
The IUPAC name of 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine (CID 176568146) is 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine is CC(C)OCC1(CN2CCS(=O)CC2)CC1.CC(C)OCC1(CN2CCSCC2)CC1.
What is the InChIKey of 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine?
The InChIKey is CCNCTIVHWVQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S.C12H23NOS/c1-11(2)15-10-12(3-4-12)9-13-5-7-16(14)8-6-13;1-11(2)14-10-12(3-4-12)9-13-5-7-15-8-6-13/h11H,3-10H2,1-2H3;11H,3-10H2,1-2H3.
What are the key properties of 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine?
4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine has a molecular weight of 474.78 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine is sourced from PubChem (CID 176568146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).