N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide

C13H26N2OS — CID 56722681

IUPACN-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCC(C)SC)CC1
InChIInChI=1S/C13H26N2OS/c1-11(17-3)4-7-15-8-5-12(6-9-15)10-13(16)14-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyBHCQIGWRGNAIRB-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide

N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide (PubChem CID 56722681) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide
PubChem CID56722681
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCC(C)SC)CC1
InChIInChI=1S/C13H26N2OS/c1-11(17-3)4-7-15-8-5-12(6-9-15)10-13(16)14-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyBHCQIGWRGNAIRB-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.98
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-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide (CID 56722681) is N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide is CNC(=O)CC1CCN(CCC(C)SC)CC1.
What is the InChIKey of N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide?
The InChIKey is BHCQIGWRGNAIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11(17-3)4-7-15-8-5-12(6-9-15)10-13(16)14-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide?
N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide has a molecular weight of 258.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylsulfanylbutyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56722681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).