3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride

C14H22ClN3O4S — CID 119271571

IUPAC3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S.ClH/c15-6-5-14(18)16-11-12-1-3-13(4-2-12)22(19,20)17-7-9-21-10-8-17;/h1-4H,5-11,15H2,(H,16,18);1H
InChIKeyRQWWBONFDKYNPM-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.09
Rot. Bonds6

About 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride

3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119271571) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
PubChem CID119271571
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S.ClH/c15-6-5-14(18)16-11-12-1-3-13(4-2-12)22(19,20)17-7-9-21-10-8-17;/h1-4H,5-11,15H2,(H,16,18);1H
InChIKeyRQWWBONFDKYNPM-UHFFFAOYSA-N
XLogP0.09
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride (CID 119271571) is 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is RQWWBONFDKYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c15-6-5-14(18)16-11-12-1-3-13(4-2-12)22(19,20)17-7-9-21-10-8-17;/h1-4H,5-11,15H2,(H,16,18);1H.
What are the key properties of 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119271571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).