(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride

C14H22ClN3O4S — CID 119271587

IUPAC(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-11(15)14(18)16-10-12-2-4-13(5-3-12)22(19,20)17-6-8-21-9-7-17;/h2-5,11H,6-10,15H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyOXTCPEYJNAFWRP-RFVHGSKJSA-N
MW363.87 g/mol
LogP0.09
Rot. Bonds5

About (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119271587) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
PubChem CID119271587
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-11(15)14(18)16-10-12-2-4-13(5-3-12)22(19,20)17-6-8-21-9-7-17;/h2-5,11H,6-10,15H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyOXTCPEYJNAFWRP-RFVHGSKJSA-N
XLogP0.09
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride (CID 119271587) is (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is OXTCPEYJNAFWRP-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-11(15)14(18)16-10-12-2-4-13(5-3-12)22(19,20)17-6-8-21-9-7-17;/h2-5,11H,6-10,15H2,1H3,(H,16,18);1H/t11-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119271587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).