4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 79356541

IUPAC4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C14H24N2O2S2/c1-6-15-8-10-7-11(19-9-10)20(17,18)16-12-13(2,3)14(12,4)5/h7,9,12,15-16H,6,8H2,1-5H3
InChIKeyCPECSYHUBIXUMB-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.57
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide (PubChem CID 79356541) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
PubChem CID79356541
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C14H24N2O2S2/c1-6-15-8-10-7-11(19-9-10)20(17,18)16-12-13(2,3)14(12,4)5/h7,9,12,15-16H,6,8H2,1-5H3
InChIKeyCPECSYHUBIXUMB-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106069682
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide (CID 79356541) is 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide?
The InChIKey is CPECSYHUBIXUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-6-15-8-10-7-11(19-9-10)20(17,18)16-12-13(2,3)14(12,4)5/h7,9,12,15-16H,6,8H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79356541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).