3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide

C8H19N3O2S — CID 120777734

IUPAC3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C8H19N3O2S/c1-3-10-14(12,13)11-5-4-8(2,6-9)7-11/h10H,3-7,9H2,1-2H3
InChIKeyMLDCFLDPNBQUDO-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.49
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide

3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide (PubChem CID 120777734) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
PubChem CID120777734
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C8H19N3O2S/c1-3-10-14(12,13)11-5-4-8(2,6-9)7-11/h10H,3-7,9H2,1-2H3
InChIKeyMLDCFLDPNBQUDO-UHFFFAOYSA-N
XLogP-0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
CID 107160206
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
[3-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778281
3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide (CID 120777734) is 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide?
The InChIKey is MLDCFLDPNBQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-3-10-14(12,13)11-5-4-8(2,6-9)7-11/h10H,3-7,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide?
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 120777734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).