N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

C15H24ClN3O3S3 — CID 119535631

IUPACN-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1sccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C15H23N3O3S3.ClH/c19-15(17-5-2-12-1-4-16-11-12)14-13(3-8-23-14)24(20,21)18-6-9-22-10-7-18;/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19);1H
InChIKeyDCMDMNCAQZGMEM-UHFFFAOYSA-N
MW426.03 g/mol
LogP1.64
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 119535631) has the molecular formula C15H24ClN3O3S3 and a molecular weight of 426.03 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID119535631
Molecular FormulaC15H24ClN3O3S3
Molecular Weight426.03 g/mol
Exact Mass425.07
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1sccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C15H23N3O3S3.ClH/c19-15(17-5-2-12-1-4-16-11-12)14-13(3-8-23-14)24(20,21)18-6-9-22-10-7-18;/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19);1H
InChIKeyDCMDMNCAQZGMEM-UHFFFAOYSA-N
XLogP1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.03
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;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-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119512106
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119533771
N-(2-methylpiperidin-3-yl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 120575277
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (CID 119535631) is N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1sccc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is DCMDMNCAQZGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S3.ClH/c19-15(17-5-2-12-1-4-16-11-12)14-13(3-8-23-14)24(20,21)18-6-9-22-10-7-18;/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 426.03 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119535631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).