N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride

C13H22ClN3O3S2 — CID 120778263

IUPACN-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)s1.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-10(17)15-7-11-3-4-12(20-11)21(18,19)16-6-5-13(2,8-14)9-16;/h3-4H,5-9,14H2,1-2H3,(H,15,17);1H
InChIKeyGXGVNSJVPQGSAU-UHFFFAOYSA-N
MW367.92 g/mol
LogP1.17
Rot. Bonds5

About N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 120778263) has the molecular formula C13H22ClN3O3S2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID120778263
Molecular FormulaC13H22ClN3O3S2
Molecular Weight367.92 g/mol
Exact Mass367.08
IUPAC NameN-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)s1.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-10(17)15-7-11-3-4-12(20-11)21(18,19)16-6-5-13(2,8-14)9-16;/h3-4H,5-9,14H2,1-2H3,(H,15,17);1H
InChIKeyGXGVNSJVPQGSAU-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 55160071
N',3,3-trimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111738700
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 120778216
N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 120777604
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride (CID 120778263) is N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)s1.Cl.
What is the InChIKey of N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is GXGVNSJVPQGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2.ClH/c1-10(17)15-7-11-3-4-12(20-11)21(18,19)16-6-5-13(2,8-14)9-16;/h3-4H,5-9,14H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120778263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).