3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine

C10H20N2O2S3 — CID 82917213

IUPAC3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CC1CSCCN1
InChIInChI=1S/C10H20N2O2S3/c1-17(13,14)10-8-16-5-3-12(10)6-9-7-15-4-2-11-9/h9-11H,2-8H2,1H3
InChIKeyQLGFEBSMJBQEFP-UHFFFAOYSA-N
MW296.48 g/mol
LogP0.11
Rot. Bonds3

About 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine

3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine (PubChem CID 82917213) has the molecular formula C10H20N2O2S3 and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
PubChem CID82917213
Molecular FormulaC10H20N2O2S3
Molecular Weight296.48 g/mol
Exact Mass296.07
IUPAC Name3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CC1CSCCN1
InChIInChI=1S/C10H20N2O2S3/c1-17(13,14)10-8-16-5-3-12(10)6-9-7-15-4-2-11-9/h9-11H,2-8H2,1H3
InChIKeyQLGFEBSMJBQEFP-UHFFFAOYSA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
CID 79384352
3-methylsulfonyl-4-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)thiomorpholine
CID 66383458
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
4-(2-methyl-2-piperazin-1-ylpropyl)-3-methylsulfonylthiomorpholine
CID 80550159
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 66382103
3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66381850
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66382213

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine?
The IUPAC name of 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine (CID 82917213) is 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine?
The canonical SMILES for 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine is CS(=O)(=O)C1CSCCN1CC1CSCCN1.
What is the InChIKey of 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine?
The InChIKey is QLGFEBSMJBQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S3/c1-17(13,14)10-8-16-5-3-12(10)6-9-7-15-4-2-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine?
3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine has a molecular weight of 296.48 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine is sourced from PubChem (CID 82917213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).