3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide

C9H21N3O2S — CID 120778042

IUPAC3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C9H21N3O2S/c1-4-11(3)15(13,14)12-6-5-9(2,7-10)8-12/h4-8,10H2,1-3H3
InChIKeyYJIJAAOSTZMVOF-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.15
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide

3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide (PubChem CID 120778042) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
PubChem CID120778042
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C9H21N3O2S/c1-4-11(3)15(13,14)12-6-5-9(2,7-10)8-12/h4-8,10H2,1-3H3
InChIKeyYJIJAAOSTZMVOF-UHFFFAOYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 120778283
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide (CID 120778042) is 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide is CCN(C)S(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is YJIJAAOSTZMVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-4-11(3)15(13,14)12-6-5-9(2,7-10)8-12/h4-8,10H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide?
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 120778042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).