1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

C12H21ClN2O2S2 — CID 119991256

IUPAC1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CNC)s1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-3-11-6-7-12(17-11)18(15,16)14-8-4-5-10(14)9-13-2;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H
InChIKeyVCVVHGQXICLWBQ-UHFFFAOYSA-N
MW324.90 g/mol
LogP2.10
Rot. Bonds5

About 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119991256) has the molecular formula C12H21ClN2O2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID119991256
Molecular FormulaC12H21ClN2O2S2
Molecular Weight324.90 g/mol
Exact Mass324.07
IUPAC Name1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CNC)s1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-3-11-6-7-12(17-11)18(15,16)14-8-4-5-10(14)9-13-2;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H
InChIKeyVCVVHGQXICLWBQ-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120712181
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
1-[(3S)-4-(5-ethylthiophen-2-yl)sulfonyl-1,4-thiazepan-3-yl]-N,N-dimethylmethanamine
CID 97105245
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991008
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (CID 119991256) is 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is CCc1ccc(S(=O)(=O)N2CCCC2CNC)s1.Cl.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is VCVVHGQXICLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2.ClH/c1-3-11-6-7-12(17-11)18(15,16)14-8-4-5-10(14)9-13-2;/h6-7,10,13H,3-5,8-9H2,1-2H3;1H.
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119991256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).