N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

C12H21ClN2O2S2 — CID 120875472

IUPACN-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-13-10-11-4-2-7-14(11)18(15,16)9-6-12-5-3-8-17-12;/h3,5,8,11,13H,2,4,6-7,9-10H2,1H3;1H
InChIKeyOXWCRTFRNUOYPH-UHFFFAOYSA-N
MW324.90 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120875472) has the molecular formula C12H21ClN2O2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120875472
Molecular FormulaC12H21ClN2O2S2
Molecular Weight324.90 g/mol
Exact Mass324.07
IUPAC NameN-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-13-10-11-4-2-7-14(11)18(15,16)9-6-12-5-3-8-17-12;/h3,5,8,11,13H,2,4,6-7,9-10H2,1H3;1H
InChIKeyOXWCRTFRNUOYPH-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119991282
(2R,3R)-2-methyl-1-(2-thiophen-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 122104892
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119650884
1-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991078
3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 115316475
1-[1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285310
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
1-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120875499
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 120875472) is N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)CCc1cccs1.Cl.
What is the InChIKey of N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is OXWCRTFRNUOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2.ClH/c1-13-10-11-4-2-7-14(11)18(15,16)9-6-12-5-3-8-17-12;/h3,5,8,11,13H,2,4,6-7,9-10H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120875472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).