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

C12H27ClN2O2S — CID 120777439

IUPAC[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-4-5-11(2)8-17(15,16)14-7-6-12(3,9-13)10-14;/h11H,4-10,13H2,1-3H3;1H
InChIKeyZHEQVBZCTSUXNF-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.84
Rot. Bonds6

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

[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120777439) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120777439
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC Name[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-4-5-11(2)8-17(15,16)14-7-6-12(3,9-13)10-14;/h11H,4-10,13H2,1-3H3;1H
InChIKeyZHEQVBZCTSUXNF-UHFFFAOYSA-N
XLogP1.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methylhexan-1-one;hydrochloride
CID 120803884
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 120777439) is [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is CCCC(C)CS(=O)(=O)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ZHEQVBZCTSUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-4-5-11(2)8-17(15,16)14-7-6-12(3,9-13)10-14;/h11H,4-10,13H2,1-3H3;1H.
What are the key properties of [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120777439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).