N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C14H21ClN4O3S2 — CID 120865580

IUPACN-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2sccc2S(=O)(=O)N2CCCC2)n1.Cl
InChIInChI=1S/C14H20N4O3S2.ClH/c1-10(15-2)9-12-16-14(21-17-12)13-11(5-8-22-13)23(19,20)18-6-3-4-7-18;/h5,8,10,15H,3-4,6-7,9H2,1-2H3;1H
InChIKeyJDJBERZJSJILGK-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.15
Rot. Bonds6

About N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120865580) has the molecular formula C14H21ClN4O3S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120865580
Molecular FormulaC14H21ClN4O3S2
Molecular Weight392.93 g/mol
Exact Mass392.07
IUPAC NameN-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2sccc2S(=O)(=O)N2CCCC2)n1.Cl
InChIInChI=1S/C14H20N4O3S2.ClH/c1-10(15-2)9-12-16-14(21-17-12)13-11(5-8-22-13)23(19,20)18-6-3-4-7-18;/h5,8,10,15H,3-4,6-7,9H2,1-2H3;1H
InChIKeyJDJBERZJSJILGK-UHFFFAOYSA-N
XLogP2.15
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120865580) is N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2sccc2S(=O)(=O)N2CCCC2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is JDJBERZJSJILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2.ClH/c1-10(15-2)9-12-16-14(21-17-12)13-11(5-8-22-13)23(19,20)18-6-3-4-7-18;/h5,8,10,15H,3-4,6-7,9H2,1-2H3;1H.
What are the key properties of N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120865580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).