N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

C13H22N2O2S2 — CID 102751319

IUPACN-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(CC)C1CC1
InChIInChI=1S/C13H22N2O2S2/c1-4-14-8-12-13(10(3)9-18-12)19(16,17)15(5-2)11-6-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyBNDKALIIQHARID-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.34
Rot. Bonds7

About N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102751319) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102751319
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(CC)C1CC1
InChIInChI=1S/C13H22N2O2S2/c1-4-14-8-12-13(10(3)9-18-12)19(16,17)15(5-2)11-6-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyBNDKALIIQHARID-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Butylamino-ethyl)-thiophene-2-sulfonic acid amide
CID 10038370
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 56824136
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine
CID 71980326
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 75515455
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 75515782
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 129400273
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65772056
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
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65773388
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (CID 102751319) is N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)N(CC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is BNDKALIIQHARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-4-14-8-12-13(10(3)9-18-12)19(16,17)15(5-2)11-6-7-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102751319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).