2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide

C13H28N2O3S — CID 110309147

IUPAC2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H28N2O3S/c1-12(2)11-15-6-4-13(5-7-15)10-14-19(16,17)9-8-18-3/h12-14H,4-11H2,1-3H3
InChIKeyIDWNXRMRRXYGSW-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.92
Rot. Bonds8

About 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide

2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 110309147) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID110309147
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H28N2O3S/c1-12(2)11-15-6-4-13(5-7-15)10-14-19(16,17)9-8-18-3/h12-14H,4-11H2,1-3H3
InChIKeyIDWNXRMRRXYGSW-UHFFFAOYSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine
CID 110630173
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)ethanesulfonamide
CID 128992126
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106136142
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
CID 114134633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 110309147) is 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide is COCCS(=O)(=O)NCC1CCN(CC(C)C)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is IDWNXRMRRXYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(2)11-15-6-4-13(5-7-15)10-14-19(16,17)9-8-18-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 110309147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).