N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride

C19H24ClN3O2S2 — CID 120808098

IUPACN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-19(12-20)8-9-22(13-19)18(24)14-4-6-15(7-5-14)21-16(23)11-26-17-3-2-10-25-17;/h2-7,10H,8-9,11-13,20H2,1H3,(H,21,23);1H
InChIKeyGRYQHCWCQMDIID-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride

N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (PubChem CID 120808098) has the molecular formula C19H24ClN3O2S2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
PubChem CID120808098
Molecular FormulaC19H24ClN3O2S2
Molecular Weight426.01 g/mol
Exact Mass425.10
IUPAC NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-19(12-20)8-9-22(13-19)18(24)14-4-6-15(7-5-14)21-16(23)11-26-17-3-2-10-25-17;/h2-7,10H,8-9,11-13,20H2,1H3,(H,21,23);1H
InChIKeyGRYQHCWCQMDIID-UHFFFAOYSA-N
XLogP3.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;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

N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120571931
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone;hydrochloride
CID 120810274
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120806601
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119606296
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(difluoromethylsulfanyl)phenyl]methanone
CID 120807609
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (CID 120808098) is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is CC1(CN)CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The InChIKey is GRYQHCWCQMDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2.ClH/c1-19(12-20)8-9-22(13-19)18(24)14-4-6-15(7-5-14)21-16(23)11-26-17-3-2-10-25-17;/h2-7,10H,8-9,11-13,20H2,1H3,(H,21,23);1H.
What are the key properties of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120808098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).