N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide

C9H20N2O3S — CID 58035116

IUPACN-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCOC1CN(C)CCC1N(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-10-6-5-8(9(7-10)14-3)11(2)15(4,12)13/h8-9H,5-7H2,1-4H3
InChIKeyIIDXDWSEFSVAAF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.40
Rot. Bonds3

About N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide

N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide (PubChem CID 58035116) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
PubChem CID58035116
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCOC1CN(C)CCC1N(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-10-6-5-8(9(7-10)14-3)11(2)15(4,12)13/h8-9H,5-7H2,1-4H3
InChIKeyIIDXDWSEFSVAAF-UHFFFAOYSA-N
XLogP-0.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide (CID 58035116) is N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide is COC1CN(C)CCC1N(C)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide?
The InChIKey is IIDXDWSEFSVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-6-5-8(9(7-10)14-3)11(2)15(4,12)13/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide?
N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).