N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide

C12H24N2O4S — CID 103028802

IUPACN-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCOC(C)(C)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,18-3)11(15)14-8-6-5-7-10(14)9-13-19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyVUIIOZMQSDNOBE-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds5

About N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 103028802) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID103028802
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCOC(C)(C)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,18-3)11(15)14-8-6-5-7-10(14)9-13-19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyVUIIOZMQSDNOBE-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 146149266
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 166272481
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide (CID 103028802) is N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide is COC(C)(C)C(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is VUIIOZMQSDNOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,18-3)11(15)14-8-6-5-7-10(14)9-13-19(4,16)17/h10,13H,5-9H2,1-4H3.
What are the key properties of N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 103028802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).