2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide

C14H20N2O2S3 — CID 106050317

IUPAC2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-4-15-9-13-14(7-8-19-13)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-8,11,15-16H,4,9H2,1-3H3
InChIKeySBCKPFSCQQSHRQ-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.27
Rot. Bonds7

About 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106050317) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106050317
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC Name2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-4-15-9-13-14(7-8-19-13)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-8,11,15-16H,4,9H2,1-3H3
InChIKeySBCKPFSCQQSHRQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106051327
5-(aminomethyl)-2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050355
3-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305547
2-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 62153288
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050184
2-amino-4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61474985
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide (CID 106050317) is 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is SBCKPFSCQQSHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-4-15-9-13-14(7-8-19-13)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-8,11,15-16H,4,9H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106050317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).