[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride

C11H25ClN2O2S — CID 120773462

IUPAC[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCS(=O)(=O)CCN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-7-16(14,15)8-6-13-5-4-11(2,9-12)10-13;/h3-10,12H2,1-2H3;1H
InChIKeyHWGJSBRXUBJJNF-UHFFFAOYSA-N
MW284.85 g/mol
LogP0.90
Rot. Bonds6

About [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120773462) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120773462
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCS(=O)(=O)CCN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-7-16(14,15)8-6-13-5-4-11(2,9-12)10-13;/h3-10,12H2,1-2H3;1H
InChIKeyHWGJSBRXUBJJNF-UHFFFAOYSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773647
3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
CID 106729226
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120809078
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120772406
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120772197
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
4-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 106722636

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 120773462) is [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride is CCCS(=O)(=O)CCN1CCC(C)(CN)C1.Cl.
What is the InChIKey of [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is HWGJSBRXUBJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-3-7-16(14,15)8-6-13-5-4-11(2,9-12)10-13;/h3-10,12H2,1-2H3;1H.
What are the key properties of [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120773462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).