N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride

C13H18ClN3O2S — CID 119691939

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)CSc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17N3O2S.ClH/c14-12(17)8-19-11-4-2-1-3-10(11)16-13(18)9-5-6-15-7-9;/h1-4,9,15H,5-8H2,(H2,14,17)(H,16,18);1H
InChIKeyYHFSFXWWLKGPLZ-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119691939) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119691939
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)CSc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17N3O2S.ClH/c14-12(17)8-19-11-4-2-1-3-10(11)16-13(18)9-5-6-15-7-9;/h1-4,9,15H,5-8H2,(H2,14,17)(H,16,18);1H
InChIKeyYHFSFXWWLKGPLZ-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-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

N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(2S,4S)-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630815
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119691939) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)CSc1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YHFSFXWWLKGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c14-12(17)8-19-11-4-2-1-3-10(11)16-13(18)9-5-6-15-7-9;/h1-4,9,15H,5-8H2,(H2,14,17)(H,16,18);1H.
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119691939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).