3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide

C13H28N2O3S — CID 106630987

IUPAC3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C13H28N2O3S/c1-12(2)15(11-13-6-4-7-14-10-13)19(16,17)9-5-8-18-3/h12-14H,4-11H2,1-3H3
InChIKeyYLZLUVZGRNADKK-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds8

About 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide

3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 106630987) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
PubChem CID106630987
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C13H28N2O3S/c1-12(2)15(11-13-6-4-7-14-10-13)19(16,17)9-5-8-18-3/h12-14H,4-11H2,1-3H3
InChIKeyYLZLUVZGRNADKK-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
CID 106630937
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
N-ethyl-N-(2-methoxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54971951
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
CID 106631255
N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 106631277

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide (CID 106630987) is 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide is COCCCS(=O)(=O)N(CC1CCCNC1)C(C)C.
What is the InChIKey of 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is YLZLUVZGRNADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(2)15(11-13-6-4-7-14-10-13)19(16,17)9-5-8-18-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide?
3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 106630987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).