N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride

C14H20ClN3O3S — CID 119773468

IUPACN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CCSc1ccccc1NC(=O)C1CNCCO1
InChIInChI=1S/C14H19N3O3S.ClH/c15-13(18)5-8-21-12-4-2-1-3-10(12)17-14(19)11-9-16-6-7-20-11;/h1-4,11,16H,5-9H2,(H2,15,18)(H,17,19);1H
InChIKeyCDNUBRGLJINUIZ-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.00
Rot. Bonds6

About N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride

N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119773468) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119773468
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CCSc1ccccc1NC(=O)C1CNCCO1
InChIInChI=1S/C14H19N3O3S.ClH/c15-13(18)5-8-21-12-4-2-1-3-10(12)17-14(19)11-9-16-6-7-20-11;/h1-4,11,16H,5-9H2,(H2,15,18)(H,17,19);1H
InChIKeyCDNUBRGLJINUIZ-UHFFFAOYSA-N
XLogP1.00
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-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

N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
(2S,4S)-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630815
N-[2-(1-phenylethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792514
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691939
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride (CID 119773468) is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride is Cl.NC(=O)CCSc1ccccc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CDNUBRGLJINUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S.ClH/c15-13(18)5-8-21-12-4-2-1-3-10(12)17-14(19)11-9-16-6-7-20-11;/h1-4,11,16H,5-9H2,(H2,15,18)(H,17,19);1H.
What are the key properties of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119773468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).