(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide

C14H20N4O6S — CID 120928111

IUPAC(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O6S/c1-10-13(15-8-9-24-10)14(19)16-6-7-17-25(22,23)12-4-2-11(3-5-12)18(20)21/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,19)/t10-,13+/m1/s1
InChIKeyUPMDJJMKVVFMQN-MFKMUULPSA-N
MW372.40 g/mol
LogP-0.63
Rot. Bonds7

About (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide (PubChem CID 120928111) has the molecular formula C14H20N4O6S and a molecular weight of 372.40 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
PubChem CID120928111
Molecular FormulaC14H20N4O6S
Molecular Weight372.40 g/mol
Exact Mass372.11
IUPAC Name(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O6S/c1-10-13(15-8-9-24-10)14(19)16-6-7-17-25(22,23)12-4-2-11(3-5-12)18(20)21/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,19)/t10-,13+/m1/s1
InChIKeyUPMDJJMKVVFMQN-MFKMUULPSA-N
XLogP-0.63
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methyl-N-[2-(2-nitroanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120919758
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120923924
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119305408
(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120935535
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572388
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone
CID 120934606
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 119752383
(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
CID 90476331
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide (CID 120928111) is (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The InChIKey is UPMDJJMKVVFMQN-MFKMUULPSA-N. The full InChI is InChI=1S/C14H20N4O6S/c1-10-13(15-8-9-24-10)14(19)16-6-7-17-25(22,23)12-4-2-11(3-5-12)18(20)21/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,19)/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120928111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).