4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine

C11H22N2O2S2 — CID 79384352

IUPAC4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
SMILESCC1NCCC1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H22N2O2S2/c1-9-10(3-4-12-9)7-13-5-6-16-8-11(13)17(2,14)15/h9-12H,3-8H2,1-2H3
InChIKeyCWLSEWCYVZZKAN-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.40
Rot. Bonds3

About 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine

4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine (PubChem CID 79384352) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
PubChem CID79384352
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
SMILESCC1NCCC1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H22N2O2S2/c1-9-10(3-4-12-9)7-13-5-6-16-8-11(13)17(2,14)15/h9-12H,3-8H2,1-2H3
InChIKeyCWLSEWCYVZZKAN-UHFFFAOYSA-N
XLogP0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 82917213
3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66381850
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 66382103
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66383602
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-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine (CID 79384352) is 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine is CC1NCCC1CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine?
The InChIKey is CWLSEWCYVZZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-9-10(3-4-12-9)7-13-5-6-16-8-11(13)17(2,14)15/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine?
4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine has a molecular weight of 278.44 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 79384352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).