5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

C11H19N3O2S2 — CID 60857110

IUPAC5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(CN)s2)C1
InChIInChI=1S/C11H19N3O2S2/c1-14-5-4-9(8-14)7-13-18(15,16)11-3-2-10(6-12)17-11/h2-3,9,13H,4-8,12H2,1H3
InChIKeyATINSYHIOQPEIF-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.44
Rot. Bonds5

About 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 60857110) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID60857110
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(CN)s2)C1
InChIInChI=1S/C11H19N3O2S2/c1-14-5-4-9(8-14)7-13-18(15,16)11-3-2-10(6-12)17-11/h2-3,9,13H,4-8,12H2,1H3
InChIKeyATINSYHIOQPEIF-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 43332877
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 106267926
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
CID 114098349
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63946600
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
2-amino-4,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856568
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide (CID 60857110) is 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is CN1CCC(CNS(=O)(=O)c2ccc(CN)s2)C1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ATINSYHIOQPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-14-5-4-9(8-14)7-13-18(15,16)11-3-2-10(6-12)17-11/h2-3,9,13H,4-8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60857110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).