N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine

C15H26N2O2S2 — CID 102753991

IUPACN-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1scc(C)c1S(=O)(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-13-14(12(2)10-20-13)21(18,19)17-8-6-7-15(3,4)11-17/h10,16H,5-9,11H2,1-4H3
InChIKeyBCDRTQLFSCSYGN-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.98
Rot. Bonds5

About N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine

N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 102753991) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine
PubChem CID102753991
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1scc(C)c1S(=O)(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-13-14(12(2)10-20-13)21(18,19)17-8-6-7-15(3,4)11-17/h10,16H,5-9,11H2,1-4H3
InChIKeyBCDRTQLFSCSYGN-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 65824749
N-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 65825132
N-methyl-1-[3-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 65825899
N,4-dimethyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751791
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751795
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751797
2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751798
N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751800
4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752139
2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752142
4-methyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752143
2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752146

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine (CID 102753991) is N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine is CCNCc1scc(C)c1S(=O)(=O)N1CCCC(C)(C)C1.
What is the InChIKey of N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is BCDRTQLFSCSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-9-13-14(12(2)10-20-13)21(18,19)17-8-6-7-15(3,4)11-17/h10,16H,5-9,11H2,1-4H3.
What are the key properties of N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine?
N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 330.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 102753991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).