N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine

C13H22N2O2S3 — CID 102754929

IUPACN-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1scc(C)c1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C13H22N2O2S3/c1-4-14-7-12-13(10(2)9-19-12)20(16,17)15-5-6-18-11(3)8-15/h9,11,14H,4-8H2,1-3H3
InChIKeyAERBZLZVXPNUTA-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.29
Rot. Bonds5

About N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine

N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine (PubChem CID 102754929) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
PubChem CID102754929
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC NameN-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1scc(C)c1S(=O)(=O)N1CCSC(C)C1
InChIInChI=1S/C13H22N2O2S3/c1-4-14-7-12-13(10(2)9-19-12)20(16,17)15-5-6-18-11(3)8-15/h9,11,14H,4-8H2,1-3H3
InChIKeyAERBZLZVXPNUTA-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806
N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine
CID 102753991
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102921045
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
N-[[4-methyl-3-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750920
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[3-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]propan-1-amine
CID 102754369

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine (CID 102754929) is N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine is CCNCc1scc(C)c1S(=O)(=O)N1CCSC(C)C1.
What is the InChIKey of N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The InChIKey is AERBZLZVXPNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-4-14-7-12-13(10(2)9-19-12)20(16,17)15-5-6-18-11(3)8-15/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine has a molecular weight of 334.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 102754929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).