N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride

C12H26ClN3O2S — CID 120902113

IUPACN-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)C1CCN(CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-3-14-18(16,17)11-4-7-15(8-11)10-12(2)5-6-13-9-12;/h11,13-14H,3-10H2,1-2H3;1H
InChIKeyRGNRSWSZTMMACI-UHFFFAOYSA-N
MW311.88 g/mol
LogP0.42
Rot. Bonds5

About N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride

N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride (PubChem CID 120902113) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
PubChem CID120902113
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC NameN-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)C1CCN(CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-3-14-18(16,17)11-4-7-15(8-11)10-12(2)5-6-13-9-12;/h11,13-14H,3-10H2,1-2H3;1H
InChIKeyRGNRSWSZTMMACI-UHFFFAOYSA-N
XLogP0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
CID 120905754
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
2,2-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]propanamide;hydrochloride
CID 120899846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride?
The IUPAC name of N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride (CID 120902113) is N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride is CCNS(=O)(=O)C1CCN(CC2(C)CCNC2)C1.Cl.
What is the InChIKey of N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride?
The InChIKey is RGNRSWSZTMMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-3-14-18(16,17)11-4-7-15(8-11)10-12(2)5-6-13-9-12;/h11,13-14H,3-10H2,1-2H3;1H.
What are the key properties of N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride?
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120902113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).