(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

C19H28N4O3S — CID 98445650

IUPAC(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H28N4O3S/c1-14-11-22(12-15(2)26-14)27(24,25)21(5)13-19-16(3)20-23(17(19)4)18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3/t14-,15-/m0/s1
InChIKeyIXMXRJQKRLCVDJ-GJZGRUSLSA-N
MW392.53 g/mol
LogP2.27
Rot. Bonds5

About (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (PubChem CID 98445650) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
PubChem CID98445650
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H28N4O3S/c1-14-11-22(12-15(2)26-14)27(24,25)21(5)13-19-16(3)20-23(17(19)4)18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3/t14-,15-/m0/s1
InChIKeyIXMXRJQKRLCVDJ-GJZGRUSLSA-N
XLogP2.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethylpiperidine-1-sulfonamide
CID 134002490
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 17398702
4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 18192071
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 17493574
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55560237
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 27661508
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
CID 64517457

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (CID 98445650) is (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The InChIKey is IXMXRJQKRLCVDJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-14-11-22(12-15(2)26-14)27(24,25)21(5)13-19-16(3)20-23(17(19)4)18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 98445650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).