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

C8H18N2O3S — CID 58035299

IUPACN-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide
SMILESCOC1CN(C)CCC1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-10-5-4-7(8(6-10)13-2)9-14(3,11)12/h7-9H,4-6H2,1-3H3
InChIKeyHBECEYMCISVPRT-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.75
Rot. Bonds3

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

N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide (PubChem CID 58035299) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide
PubChem CID58035299
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide
SMILESCOC1CN(C)CCC1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-10-5-4-7(8(6-10)13-2)9-14(3,11)12/h7-9H,4-6H2,1-3H3
InChIKeyHBECEYMCISVPRT-UHFFFAOYSA-N
XLogP-0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide (CID 58035299) is N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide is COC1CN(C)CCC1NS(C)(=O)=O.
What is the InChIKey of N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide?
The InChIKey is HBECEYMCISVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10-5-4-7(8(6-10)13-2)9-14(3,11)12/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide?
N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 58035299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).