N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide

C13H27N3O4S — CID 155954625

IUPACN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide
SMILESCON1CCC(CC(=O)NC(C)(C)CNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O4S/c1-13(2,10-14-21(4,18)19)15-12(17)9-11-5-7-16(20-3)8-6-11/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyBTFNVQFCAQDMTE-UHFFFAOYSA-N
MW321.44 g/mol
LogP0.09
Rot. Bonds7

About N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide

N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide (PubChem CID 155954625) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide
PubChem CID155954625
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide
SMILESCON1CCC(CC(=O)NC(C)(C)CNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O4S/c1-13(2,10-14-21(4,18)19)15-12(17)9-11-5-7-16(20-3)8-6-11/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyBTFNVQFCAQDMTE-UHFFFAOYSA-N
XLogP0.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminocyclohexyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 113470824
N-[2-(cyclohexen-1-yl)-2-methylpropyl]-2-(1-methoxypiperidin-4-yl)acetamide
CID 167816633
N-(1-methoxy-2-methylpropan-2-yl)-2-piperidin-4-ylacetamide
CID 115738831
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63859267
2-(cyclopropylmethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 60841585
N-[4-(difluoromethoxy)phenyl]sulfonyl-2-(1-methoxypiperidin-4-yl)acetamide
CID 155960584
2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62782466
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
methyl 4-(2-methylsulfonylethyl)piperidine-1-carboxylate
CID 71165241
2-(azetidin-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 64616558
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate
CID 175200745

Frequently Asked Questions

What is the IUPAC name of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide?
The IUPAC name of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide (CID 155954625) is N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide.
What is the SMILES notation for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide?
The canonical SMILES for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide is CON1CCC(CC(=O)NC(C)(C)CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide?
The InChIKey is BTFNVQFCAQDMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-13(2,10-14-21(4,18)19)15-12(17)9-11-5-7-16(20-3)8-6-11/h11,14H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide?
N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide has a molecular weight of 321.44 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-2-(1-methoxypiperidin-4-yl)acetamide is sourced from PubChem (CID 155954625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).