4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride

C16H24ClN3O2S — CID 120561677

IUPAC4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-12(17)5-6-15(20)18-14-4-2-3-13(11-14)16(21)19-7-9-22-10-8-19;/h2-4,11-12H,5-10,17H2,1H3,(H,18,20);1H
InChIKeyFVXPHESMVIBQTG-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride

4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride (PubChem CID 120561677) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
PubChem CID120561677
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-12(17)5-6-15(20)18-14-4-2-3-13(11-14)16(21)19-7-9-22-10-8-19;/h2-4,11-12H,5-10,17H2,1H3,(H,18,20);1H
InChIKeyFVXPHESMVIBQTG-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;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

4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
(2S)-2-amino-4-methylsulfanyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 119309634
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
CID 56800512
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
2-(aminomethyl)-N-[3-(thiomorpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119759636
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
CID 56826279

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride (CID 120561677) is 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl.
What is the InChIKey of 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride?
The InChIKey is FVXPHESMVIBQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/c1-12(17)5-6-15(20)18-14-4-2-3-13(11-14)16(21)19-7-9-22-10-8-19;/h2-4,11-12H,5-10,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride?
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).