N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride

C10H23ClN2O2S — CID 120898547

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
SMILESCN(CCS(C)(=O)=O)CC1(C)CCNC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-10(4-5-11-8-10)9-12(2)6-7-15(3,13)14;/h11H,4-9H2,1-3H3;1H
InChIKeyZSDQUWIPFADSFL-UHFFFAOYSA-N
MW270.83 g/mol
LogP0.38
Rot. Bonds5

About N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride (PubChem CID 120898547) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
PubChem CID120898547
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
SMILESCN(CCS(C)(=O)=O)CC1(C)CCNC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-10(4-5-11-8-10)9-12(2)6-7-15(3,13)14;/h11H,4-9H2,1-3H3;1H
InChIKeyZSDQUWIPFADSFL-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
CID 120901428
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899800
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63143005
N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120901057
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 120905253
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride (CID 120898547) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride is CN(CCS(C)(=O)=O)CC1(C)CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride?
The InChIKey is ZSDQUWIPFADSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-10(4-5-11-8-10)9-12(2)6-7-15(3,13)14;/h11H,4-9H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 120898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).