5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide

C13H22N2O3S2 — CID 81068752

IUPAC5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H22N2O3S2/c1-3-18-7-6-15(2)20(16,17)13-8-12(19-10-13)9-14-11-4-5-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyLHVBCPAJECVDOE-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.66
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide (PubChem CID 81068752) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
PubChem CID81068752
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H22N2O3S2/c1-3-18-7-6-15(2)20(16,17)13-8-12(19-10-13)9-14-11-4-5-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyLHVBCPAJECVDOE-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 71878230
Methyl[1-methyl-2-morpholino-2-(2-thienyl)ethylamino](oxo)-lambda-sulfaniumolate
CID 6710462
5-ethyl-N-(2-morpholino-2-(thiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 18589448
4-(Morpholine-4-sulfonyl)-N-[1-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 3226777
1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
CID 75471365
N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-sulfonamide
CID 129367193
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65772438
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65772623
2-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65773392
5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65774735
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65785175

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide (CID 81068752) is 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is LHVBCPAJECVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-18-7-6-15(2)20(16,17)13-8-12(19-10-13)9-14-11-4-5-11/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 81068752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).