3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride

C12H28ClN3O4S — CID 120778283

IUPAC3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C12H27N3O4S.ClH/c1-12(10-13)4-5-15(11-12)20(16,17)14(6-8-18-2)7-9-19-3;/h4-11,13H2,1-3H3;1H
InChIKeyXWHCVXMZOOXDNI-UHFFFAOYSA-N
MW345.89 g/mol
LogP-0.08
Rot. Bonds9

About 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride

3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 120778283) has the molecular formula C12H28ClN3O4S and a molecular weight of 345.89 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
PubChem CID120778283
Molecular FormulaC12H28ClN3O4S
Molecular Weight345.89 g/mol
Exact Mass345.15
IUPAC Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C12H27N3O4S.ClH/c1-12(10-13)4-5-15(11-12)20(16,17)14(6-8-18-2)7-9-19-3;/h4-11,13H2,1-3H3;1H
InChIKeyXWHCVXMZOOXDNI-UHFFFAOYSA-N
XLogP-0.08
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride (CID 120778283) is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride is COCCN(CCOC)S(=O)(=O)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is XWHCVXMZOOXDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O4S.ClH/c1-12(10-13)4-5-15(11-12)20(16,17)14(6-8-18-2)7-9-19-3;/h4-11,13H2,1-3H3;1H.
What are the key properties of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride?
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 345.89 g/mol, XLogP of -0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120778283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).