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

C16H25N3O4S — CID 120935535

IUPAC(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H25N3O4S/c1-12-4-6-14(7-5-12)24(21,22)18-8-10-19(3)16(20)15-13(2)23-11-9-17-15/h4-7,13,15,17-18H,8-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyOBCRAYYJMJESGM-HIFRSBDPSA-N
MW355.46 g/mol
LogP0.11
Rot. Bonds6

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

(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide (PubChem CID 120935535) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
PubChem CID120935535
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H25N3O4S/c1-12-4-6-14(7-5-12)24(21,22)18-8-10-19(3)16(20)15-13(2)23-11-9-17-15/h4-7,13,15,17-18H,8-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyOBCRAYYJMJESGM-HIFRSBDPSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119807200
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120928111
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337006
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939996
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120923924
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920100
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
(2R,3S)-N-(2-cyclohexylethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930037
(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918700

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide (CID 120935535) is (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
The InChIKey is OBCRAYYJMJESGM-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-4-6-14(7-5-12)24(21,22)18-8-10-19(3)16(20)15-13(2)23-11-9-17-15/h4-7,13,15,17-18H,8-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120935535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).