N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide

C14H26N2OS — CID 100625581

IUPACN-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CC2(SC)CCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-15-13(17)10-12-4-8-16(9-5-12)11-14(18-2)6-3-7-14/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyHIBVQRKHECACIQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide

N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide (PubChem CID 100625581) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide
PubChem CID100625581
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CC2(SC)CCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-15-13(17)10-12-4-8-16(9-5-12)11-14(18-2)6-3-7-14/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyHIBVQRKHECACIQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide (CID 100625581) is N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide is CNC(=O)CC1CCN(CC2(SC)CCC2)CC1.
What is the InChIKey of N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is HIBVQRKHECACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-15-13(17)10-12-4-8-16(9-5-12)11-14(18-2)6-3-7-14/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide?
N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 100625581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).