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

C11H26ClN3O4S — CID 119972257

IUPAC3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C11H25N3O4S.ClH/c1-17-7-5-13(6-8-18-2)19(15,16)14-4-3-11(9-12)10-14;/h11H,3-10,12H2,1-2H3;1H
InChIKeyQNKWXSSIYYWMIE-UHFFFAOYSA-N
MW331.87 g/mol
LogP-0.47
Rot. Bonds9

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

3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 119972257) has the molecular formula C11H26ClN3O4S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
PubChem CID119972257
Molecular FormulaC11H26ClN3O4S
Molecular Weight331.87 g/mol
Exact Mass331.13
IUPAC Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C11H25N3O4S.ClH/c1-17-7-5-13(6-8-18-2)19(15,16)14-4-3-11(9-12)10-14;/h11H,3-10,12H2,1-2H3;1H
InChIKeyQNKWXSSIYYWMIE-UHFFFAOYSA-N
XLogP-0.47
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 120778283
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride (CID 119972257) is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride is COCCN(CCOC)S(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is QNKWXSSIYYWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S.ClH/c1-17-7-5-13(6-8-18-2)19(15,16)14-4-3-11(9-12)10-14;/h11H,3-10,12H2,1-2H3;1H.
What are the key properties of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride?
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of -0.47, 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)pyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119972257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).