4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide

C12H22N2O2S3 — CID 106082258

IUPAC4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCC(C)SC)c1
InChIInChI=1S/C12H22N2O2S3/c1-4-13-8-11-7-12(18-9-11)19(15,16)14-6-5-10(2)17-3/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyUPHMETBBBBBCCA-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.28
Rot. Bonds9

About 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 106082258) has the molecular formula C12H22N2O2S3 and a molecular weight of 322.52 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID106082258
Molecular FormulaC12H22N2O2S3
Molecular Weight322.52 g/mol
Exact Mass322.08
IUPAC Name4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCC(C)SC)c1
InChIInChI=1S/C12H22N2O2S3/c1-4-13-8-11-7-12(18-9-11)19(15,16)14-6-5-10(2)17-3/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyUPHMETBBBBBCCA-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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

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Related Compounds

N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-(ethylaminomethyl)-2-fluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082337
2-bromo-4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082274
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 106082258) is 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCCC(C)SC)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is UPHMETBBBBBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S3/c1-4-13-8-11-7-12(18-9-11)19(15,16)14-6-5-10(2)17-3/h7,9-10,13-14H,4-6,8H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 322.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).