1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C11H21ClN2OS2 — CID 119651810

IUPAC1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CSCCS1.Cl
InChIInChI=1S/C11H20N2OS2.ClH/c1-12-7-9-3-2-4-13(9)11(14)10-8-15-5-6-16-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyGVJOGXLRMTUOSC-UHFFFAOYSA-N
MW296.89 g/mol
LogP1.47
Rot. Bonds3

About 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119651810) has the molecular formula C11H21ClN2OS2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119651810
Molecular FormulaC11H21ClN2OS2
Molecular Weight296.89 g/mol
Exact Mass296.08
IUPAC Name1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1CSCCS1.Cl
InChIInChI=1S/C11H20N2OS2.ClH/c1-12-7-9-3-2-4-13(9)11(14)10-8-15-5-6-16-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyGVJOGXLRMTUOSC-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;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

3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579448
6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649432
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119650863
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569833
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119651810) is 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)C1CSCCS1.Cl.
What is the InChIKey of 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is GVJOGXLRMTUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2.ClH/c1-12-7-9-3-2-4-13(9)11(14)10-8-15-5-6-16-10;/h9-10,12H,2-8H2,1H3;1H.
What are the key properties of 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119651810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).