(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide

C9H20N4O4S — CID 141017699

IUPAC(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNS(=O)(=O)C1CNCCO1
InChIInChI=1S/C9H20N4O4S/c1-7(10)9(14)12-2-3-13-18(15,16)8-6-11-4-5-17-8/h7-8,11,13H,2-6,10H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyLEDQQBJDSXPNSN-JAMMHHFISA-N
MW280.35 g/mol
LogP-2.68
Rot. Bonds6

About (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide

(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide (PubChem CID 141017699) has the molecular formula C9H20N4O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
PubChem CID141017699
Molecular FormulaC9H20N4O4S
Molecular Weight280.35 g/mol
Exact Mass280.12
IUPAC Name(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNS(=O)(=O)C1CNCCO1
InChIInChI=1S/C9H20N4O4S/c1-7(10)9(14)12-2-3-13-18(15,16)8-6-11-4-5-17-8/h7-8,11,13H,2-6,10H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyLEDQQBJDSXPNSN-JAMMHHFISA-N
XLogP-2.68
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-2.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811412
2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811413
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-{2-[methyl(methylsulfonyl)amino]ethyl}propanamide
CID 56867283
(2S)-4-(Methylsulfonyl)-1-(4-morpholinyl)-1-oxo-2-butanamine
CID 28169493
(2S)-2-(cyclohexylamino)-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 53714972
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide
CID 58935368
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 69704561
3-[[2-Amino-3-[2-amino-3-oxo-3-(propylamino)propoxy]propanoyl]amino]propane-1-sulfonic acid
CID 90322044
N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide
CID 142971010
ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
CID 145385419
(2S)-2-(hexylamino)-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 145826500
N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 156523751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide (CID 141017699) is (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide is C[C@H](N)C(=O)NCCNS(=O)(=O)C1CNCCO1.
What is the InChIKey of (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide?
The InChIKey is LEDQQBJDSXPNSN-JAMMHHFISA-N. The full InChI is InChI=1S/C9H20N4O4S/c1-7(10)9(14)12-2-3-13-18(15,16)8-6-11-4-5-17-8/h7-8,11,13H,2-6,10H2,1H3,(H,12,14)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide?
(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide has a molecular weight of 280.35 g/mol, XLogP of -2.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide is sourced from PubChem (CID 141017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).