2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

C15H22ClN3O2S — CID 119309623

IUPAC2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,16)14(20)17-12-5-3-4-11(10-12)13(19)18-6-8-21-9-7-18;/h3-5,10H,6-9,16H2,1-2H3,(H,17,20);1H
InChIKeyYLUOZEDOAXIREK-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119309623) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119309623
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,16)14(20)17-12-5-3-4-11(10-12)13(19)18-6-8-21-9-7-18;/h3-5,10H,6-9,16H2,1-2H3,(H,17,20);1H
InChIKeyYLUOZEDOAXIREK-UHFFFAOYSA-N
XLogP1.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
(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
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816
2-(aminomethyl)-N-[3-(thiomorpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119759636
(2R,3S)-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929063

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (CID 119309623) is 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is CC(C)(N)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is YLUOZEDOAXIREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-15(2,16)14(20)17-12-5-3-4-11(10-12)13(19)18-6-8-21-9-7-18;/h3-5,10H,6-9,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119309623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).