(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

C14H24N4O4S — CID 125023247

IUPAC(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@]2(C)CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C14H24N4O4S/c1-11-9-12(2)18(16-11)6-5-15-13(19)14(3)10-17(7-8-22-14)23(4,20)21/h9H,5-8,10H2,1-4H3,(H,15,19)/t14-/m0/s1
InChIKeyYWTTZIHOQSPZDQ-AWEZNQCLSA-N
MW344.44 g/mol
LogP-0.33
Rot. Bonds5

About (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (PubChem CID 125023247) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
PubChem CID125023247
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@]2(C)CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C14H24N4O4S/c1-11-9-12(2)18(16-11)6-5-15-13(19)14(3)10-17(7-8-22-14)23(4,20)21/h9H,5-8,10H2,1-4H3,(H,15,19)/t14-/m0/s1
InChIKeyYWTTZIHOQSPZDQ-AWEZNQCLSA-N
XLogP-0.33
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248
(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124982869
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 86993163
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816298
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
CID 92632600
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503060

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (CID 125023247) is (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is Cc1cc(C)n(CCNC(=O)[C@]2(C)CN(S(C)(=O)=O)CCO2)n1.
What is the InChIKey of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The InChIKey is YWTTZIHOQSPZDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-11-9-12(2)18(16-11)6-5-15-13(19)14(3)10-17(7-8-22-14)23(4,20)21/h9H,5-8,10H2,1-4H3,(H,15,19)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 125023247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).