N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

C13H22N2O2S2 — CID 102753134

IUPACN-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC1CC1(C)C
InChIInChI=1S/C13H22N2O2S2/c1-5-14-7-10-12(9(2)8-18-10)19(16,17)15-11-6-13(11,3)4/h8,11,14-15H,5-7H2,1-4H3
InChIKeyBEQONYQQIGLMFO-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.24
Rot. Bonds6

About N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102753134) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102753134
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC1CC1(C)C
InChIInChI=1S/C13H22N2O2S2/c1-5-14-7-10-12(9(2)8-18-10)19(16,17)15-11-6-13(11,3)4/h8,11,14-15H,5-7H2,1-4H3
InChIKeyBEQONYQQIGLMFO-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086860
N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]ethanamine
CID 102753991
N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102751319
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (CID 102753134) is N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is BEQONYQQIGLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-5-14-7-10-12(9(2)8-18-10)19(16,17)15-11-6-13(11,3)4/h8,11,14-15H,5-7H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102753134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).