2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide

C9H17N3O2S2 — CID 106032375

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C9H17N3O2S2/c1-12(2)5-4-11-16(13,14)9-3-6-15-8(9)7-10/h3,6,11H,4-5,7,10H2,1-2H3
InChIKeyHMJUPLZPKGJJOR-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.05
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide (PubChem CID 106032375) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
PubChem CID106032375
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C9H17N3O2S2/c1-12(2)5-4-11-16(13,14)9-3-6-15-8(9)7-10/h3,6,11H,4-5,7,10H2,1-2H3
InChIKeyHMJUPLZPKGJJOR-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132259
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
CID 106032317
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide (CID 106032375) is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide is CN(C)CCNS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The InChIKey is HMJUPLZPKGJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-12(2)5-4-11-16(13,14)9-3-6-15-8(9)7-10/h3,6,11H,4-5,7,10H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106032375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).