(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine

C13H23N5O3S — CID 129399889

IUPAC(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O
InChIInChI=1S/C13H23N5O3S/c1-4-16(3)22(20,21)15-11-7-6-10-17(13(11)19)12-8-9-14-18(12)5-2/h8-9,11,15H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyDOOCERUDKWWGHD-LLVKDONJSA-N
MW329.43 g/mol
LogP0.18
Rot. Bonds6

About (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine

(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine (PubChem CID 129399889) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine.

Molecular Properties

Compound Name(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
PubChem CID129399889
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O
InChIInChI=1S/C13H23N5O3S/c1-4-16(3)22(20,21)15-11-7-6-10-17(13(11)19)12-8-9-14-18(12)5-2/h8-9,11,15H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyDOOCERUDKWWGHD-LLVKDONJSA-N
XLogP0.18
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine?
The IUPAC name of (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine (CID 129399889) is (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine.
What is the SMILES notation for (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine?
The canonical SMILES for (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine is CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O.
What is the InChIKey of (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine?
The InChIKey is DOOCERUDKWWGHD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-4-16(3)22(20,21)15-11-7-6-10-17(13(11)19)12-8-9-14-18(12)5-2/h8-9,11,15H,4-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine?
(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine has a molecular weight of 329.43 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine is sourced from PubChem (CID 129399889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).