(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide

C15H23N3O4S — CID 119275554

IUPAC(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-23(20,21)18-6-8-22-9-7-18/h2-5,12H,6-11,16H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLFDPBBXREJJKFW-GFCCVEGCSA-N
MW341.43 g/mol
LogP-0.19
Rot. Bonds6

About (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide (PubChem CID 119275554) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
PubChem CID119275554
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-23(20,21)18-6-8-22-9-7-18/h2-5,12H,6-11,16H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLFDPBBXREJJKFW-GFCCVEGCSA-N
XLogP-0.19
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 60596872
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24541806
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
3-amino-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 120873546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide (CID 119275554) is (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide?
The InChIKey is LFDPBBXREJJKFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-23(20,21)18-6-8-22-9-7-18/h2-5,12H,6-11,16H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide has a molecular weight of 341.43 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119275554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).