5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide

C13H24N2O2S2 — CID 106018941

IUPAC5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(CC)C(C)C)cs1
InChIInChI=1S/C13H24N2O2S2/c1-5-13(10(3)4)15-19(16,17)12-7-11(18-9-12)8-14-6-2/h7,9-10,13-15H,5-6,8H2,1-4H3
InChIKeyUEASXAUBZRKKAZ-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.57
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide (PubChem CID 106018941) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
PubChem CID106018941
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(CC)C(C)C)cs1
InChIInChI=1S/C13H24N2O2S2/c1-5-13(10(3)4)15-19(16,17)12-7-11(18-9-12)8-14-6-2/h7,9-10,13-15H,5-6,8H2,1-4H3
InChIKeyUEASXAUBZRKKAZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106063271
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030281
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide (CID 106018941) is 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(CC)C(C)C)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The InChIKey is UEASXAUBZRKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-13(10(3)4)15-19(16,17)12-7-11(18-9-12)8-14-6-2/h7,9-10,13-15H,5-6,8H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106018941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).