2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

C14H22N4O3S — CID 120772660

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H22N4O3S/c1-14(9-15)5-6-18(10-14)8-13(19)17-11-3-2-4-12(7-11)22(16,20)21/h2-4,7H,5-6,8-10,15H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyURWKHFYYACZBLT-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.06
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 120772660) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID120772660
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H22N4O3S/c1-14(9-15)5-6-18(10-14)8-13(19)17-11-3-2-4-12(7-11)22(16,20)21/h2-4,7H,5-6,8-10,15H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyURWKHFYYACZBLT-UHFFFAOYSA-N
XLogP-0.06
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120772271
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-butan-2-ylphenyl)acetamide;hydrochloride
CID 120772283
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (CID 120772660) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is CC1(CN)CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is URWKHFYYACZBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-14(9-15)5-6-18(10-14)8-13(19)17-11-3-2-4-12(7-11)22(16,20)21/h2-4,7H,5-6,8-10,15H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 120772660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).