5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide

C12H22N2O2S3 — CID 106078061

IUPAC5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCSC)s1
InChIInChI=1S/C12H22N2O2S3/c1-3-13-10-11-6-7-12(18-11)19(15,16)14-8-4-5-9-17-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyAHBYQBVESZAOHB-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.28
Rot. Bonds10

About 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 106078061) has the molecular formula C12H22N2O2S3 and a molecular weight of 322.52 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID106078061
Molecular FormulaC12H22N2O2S3
Molecular Weight322.52 g/mol
Exact Mass322.08
IUPAC Name5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCSC)s1
InChIInChI=1S/C12H22N2O2S3/c1-3-13-10-11-6-7-12(18-11)19(15,16)14-8-4-5-9-17-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyAHBYQBVESZAOHB-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
N-dodecyl-5-[[(4-methylsulfonylphenyl)methylamino]methyl]thiophene-2-sulfonamide
CID 69156658

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 106078061) is 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCCSC)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is AHBYQBVESZAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S3/c1-3-13-10-11-6-7-12(18-11)19(15,16)14-8-4-5-9-17-2/h6-7,13-14H,3-5,8-10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 322.52 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106078061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).