N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide

C15H21N3O4S — CID 97065422

IUPACN-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H21N3O4S/c1-11(17-15(20)12-6-3-2-4-7-12)14(19)18-23(21,22)13-8-5-9-16-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyVOAICGLYRXGGAN-LLVKDONJSA-N
MW339.42 g/mol
LogP0.97
Rot. Bonds5

About N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 97065422) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
PubChem CID97065422
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H21N3O4S/c1-11(17-15(20)12-6-3-2-4-7-12)14(19)18-23(21,22)13-8-5-9-16-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyVOAICGLYRXGGAN-LLVKDONJSA-N
XLogP0.97
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide (CID 97065422) is N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide is C[C@@H](NC(=O)C1CCCCC1)C(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is VOAICGLYRXGGAN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11(17-15(20)12-6-3-2-4-7-12)14(19)18-23(21,22)13-8-5-9-16-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 97065422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).