N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine

C11H18N2O4S4 — CID 66383875

IUPACN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CCSCC2S(C)(=O)=O)c1
InChIInChI=1S/C11H18N2O4S4/c1-12-6-9-5-11(19-7-9)21(16,17)13-3-4-18-8-10(13)20(2,14)15/h5,7,10,12H,3-4,6,8H2,1-2H3
InChIKeyVVENGMAQXHSZIS-UHFFFAOYSA-N
MW370.54 g/mol
LogP0.58
Rot. Bonds5

About N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine

N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine (PubChem CID 66383875) has the molecular formula C11H18N2O4S4 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine
PubChem CID66383875
Molecular FormulaC11H18N2O4S4
Molecular Weight370.54 g/mol
Exact Mass370.01
IUPAC NameN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CCSCC2S(C)(=O)=O)c1
InChIInChI=1S/C11H18N2O4S4/c1-12-6-9-5-11(19-7-9)21(16,17)13-3-4-18-8-10(13)20(2,14)15/h5,7,10,12H,3-4,6,8H2,1-2H3
InChIKeyVVENGMAQXHSZIS-UHFFFAOYSA-N
XLogP0.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3,5-difluoro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 66383964
1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine
CID 114597745
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
CID 66382849
N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
CID 79166239
[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
CID 66383105
3-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66383927
4-[2-bromo-5-(chloromethyl)thiophen-3-yl]sulfonyl-3-methylsulfonylthiomorpholine
CID 66381886
1-[3,4-difluoro-5-(3-methylthiomorpholin-4-yl)sulfonylphenyl]-N-methylmethanamine
CID 105122313
4-(2-bromophenyl)sulfonyl-3-methylsulfonylthiomorpholine
CID 66384439
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine (CID 66383875) is N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine is CNCc1csc(S(=O)(=O)N2CCSCC2S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine?
The InChIKey is VVENGMAQXHSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S4/c1-12-6-9-5-11(19-7-9)21(16,17)13-3-4-18-8-10(13)20(2,14)15/h5,7,10,12H,3-4,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine?
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine has a molecular weight of 370.54 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine is sourced from PubChem (CID 66383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).