1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride

C13H21ClN2O2S — CID 119991099

IUPAC1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)Cc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-14-10-13-8-5-9-15(13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H
InChIKeyKGSXRYVDQUDQFK-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.62
Rot. Bonds5

About 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride

1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride (PubChem CID 119991099) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
PubChem CID119991099
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)Cc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-14-10-13-8-5-9-15(13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H
InChIKeyKGSXRYVDQUDQFK-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
1-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120875499
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119991282
N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875472
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride (CID 119991099) is 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)Cc1ccccc1.Cl.
What is the InChIKey of 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is KGSXRYVDQUDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-14-10-13-8-5-9-15(13)18(16,17)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H.
What are the key properties of 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride?
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119991099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).