N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H24N2O4S2 — CID 71810367

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)s1
InChIInChI=1S/C15H24N2O4S2/c1-11-4-5-14(22-11)13(21-2)10-16-15(18)12-6-8-17(9-7-12)23(3,19)20/h4-5,12-13H,6-10H2,1-3H3,(H,16,18)
InChIKeyIOTGFEAPVCFDIX-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.53
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71810367) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71810367
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)s1
InChIInChI=1S/C15H24N2O4S2/c1-11-4-5-14(22-11)13(21-2)10-16-15(18)12-6-8-17(9-7-12)23(3,19)20/h4-5,12-13H,6-10H2,1-3H3,(H,16,18)
InChIKeyIOTGFEAPVCFDIX-UHFFFAOYSA-N
XLogP1.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71810367) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is COC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is IOTGFEAPVCFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-11-4-5-14(22-11)13(21-2)10-16-15(18)12-6-8-17(9-7-12)23(3,19)20/h4-5,12-13H,6-10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71810367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).