N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide

C14H28N4O4S — CID 139004941

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide
SMILESCNS(=O)(=O)NC1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1
InChIInChI=1S/C14H28N4O4S/c1-10(2)14(11(3)19)16-13(20)9-18-7-5-12(6-8-18)17-23(21,22)15-4/h10,12,14-15,17H,5-9H2,1-4H3,(H,16,20)
InChIKeyZVSRCGIJUVSRAM-UHFFFAOYSA-N
MW348.47 g/mol
LogP-0.77
Rot. Bonds8

About N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide (PubChem CID 139004941) has the molecular formula C14H28N4O4S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide
PubChem CID139004941
Molecular FormulaC14H28N4O4S
Molecular Weight348.47 g/mol
Exact Mass348.18
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide
SMILESCNS(=O)(=O)NC1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1
InChIInChI=1S/C14H28N4O4S/c1-10(2)14(11(3)19)16-13(20)9-18-7-5-12(6-8-18)17-23(21,22)15-4/h10,12,14-15,17H,5-9H2,1-4H3,(H,16,20)
InChIKeyZVSRCGIJUVSRAM-UHFFFAOYSA-N
XLogP-0.77
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62091095
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63971556
N-(2-methyl-4-oxopentan-3-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 43234442
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590
2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
CID 114808399
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79119052
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55541672
(2S)-3-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 92919551
2-(3-methoxypiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113231236
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882690
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 40797788
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63611158

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide (CID 139004941) is N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide is CNS(=O)(=O)NC1CCN(CC(=O)NC(C(C)=O)C(C)C)CC1.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide?
The InChIKey is ZVSRCGIJUVSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4S/c1-10(2)14(11(3)19)16-13(20)9-18-7-5-12(6-8-18)17-23(21,22)15-4/h10,12,14-15,17H,5-9H2,1-4H3,(H,16,20).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of -0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 139004941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).