N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide

C13H26N2O4S — CID 94082074

IUPACN-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-5-10-20(17,18)14-11(2)13(16)15-8-6-12(19-3)7-9-15/h11-12,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyGDOGYBBVCQILJL-NSHDSACASA-N
MW306.43 g/mol
LogP0.73
Rot. Bonds7

About N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide

N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide (PubChem CID 94082074) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
PubChem CID94082074
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-5-10-20(17,18)14-11(2)13(16)15-8-6-12(19-3)7-9-15/h11-12,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyGDOGYBBVCQILJL-NSHDSACASA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide (CID 94082074) is N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC)CC1.
What is the InChIKey of N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide?
The InChIKey is GDOGYBBVCQILJL-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-5-10-20(17,18)14-11(2)13(16)15-8-6-12(19-3)7-9-15/h11-12,14H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide?
N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 94082074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).