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

C9H17N3O2S2 — CID 43155677

IUPAC5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H17N3O2S2/c1-12(2)6-5-11-16(13,14)9-4-3-8(7-10)15-9/h3-4,11H,5-7,10H2,1-2H3
InChIKeyZDMKBZZVABCQEO-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.05
Rot. Bonds6

About 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 43155677) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID43155677
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H17N3O2S2/c1-12(2)6-5-11-16(13,14)9-4-3-8(7-10)15-9/h3-4,11H,5-7,10H2,1-2H3
InChIKeyZDMKBZZVABCQEO-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

5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
CID 114098349
5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 114184180
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(aminomethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951556
5-(aminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64531590

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide (CID 43155677) is 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide is CN(C)CCNS(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZDMKBZZVABCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-12(2)6-5-11-16(13,14)9-4-3-8(7-10)15-9/h3-4,11H,5-7,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-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 5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43155677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).