N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H30N4O4S — CID 39113661

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H30N4O4S/c1-12-10-21(11-13(2)25-12)26(23,24)9-8-18-17(22)7-6-16-14(3)19-20(5)15(16)4/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyKZWBJNAXDGOSTE-CHWSQXEVSA-N
MW386.52 g/mol
LogP0.52
Rot. Bonds7

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 39113661) has the molecular formula C17H30N4O4S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID39113661
Molecular FormulaC17H30N4O4S
Molecular Weight386.52 g/mol
Exact Mass386.20
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H30N4O4S/c1-12-10-21(11-13(2)25-12)26(23,24)9-8-18-17(22)7-6-16-14(3)19-20(5)15(16)4/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyKZWBJNAXDGOSTE-CHWSQXEVSA-N
XLogP0.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 39113661) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KZWBJNAXDGOSTE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H30N4O4S/c1-12-10-21(11-13(2)25-12)26(23,24)9-8-18-17(22)7-6-16-14(3)19-20(5)15(16)4/h12-13H,6-11H2,1-5H3,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).