N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C15H25N5O4S — CID 95862912

IUPACN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESCS(=O)(=O)N1CCO[C@H](CNC(=O)CCc2cc3n(n2)CCNC3)C1
InChIInChI=1S/C15H25N5O4S/c1-25(22,23)19-6-7-24-14(11-19)10-17-15(21)3-2-12-8-13-9-16-4-5-20(13)18-12/h8,14,16H,2-7,9-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyXXQKIUCYYURUAD-CQSZACIVSA-N
MW371.46 g/mol
LogP-1.30
Rot. Bonds6

About N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 95862912) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID95862912
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC NameN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESCS(=O)(=O)N1CCO[C@H](CNC(=O)CCc2cc3n(n2)CCNC3)C1
InChIInChI=1S/C15H25N5O4S/c1-25(22,23)19-6-7-24-14(11-19)10-17-15(21)3-2-12-8-13-9-16-4-5-20(13)18-12/h8,14,16H,2-7,9-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyXXQKIUCYYURUAD-CQSZACIVSA-N
XLogP-1.30
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70709161
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
CID 56750918
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893396
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893788
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711394
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 95862912) is N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is CS(=O)(=O)N1CCO[C@H](CNC(=O)CCc2cc3n(n2)CCNC3)C1.
What is the InChIKey of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is XXQKIUCYYURUAD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-25(22,23)19-6-7-24-14(11-19)10-17-15(21)3-2-12-8-13-9-16-4-5-20(13)18-12/h8,14,16H,2-7,9-11H2,1H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of -1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 95862912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).