N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine

C13H26N2OS — CID 114238073

IUPACN-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCC(SC)CC2)CCOC1
InChIInChI=1S/C13H26N2OS/c1-14-9-13(5-8-16-11-13)10-15-6-3-12(17-2)4-7-15/h12,14H,3-11H2,1-2H3
InChIKeyFEVZZJIXJBJAHC-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.44
Rot. Bonds5

About N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 114238073) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID114238073
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCC(SC)CC2)CCOC1
InChIInChI=1S/C13H26N2OS/c1-14-9-13(5-8-16-11-13)10-15-6-3-12(17-2)4-7-15/h12,14H,3-11H2,1-2H3
InChIKeyFEVZZJIXJBJAHC-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine (CID 114238073) is N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine is CNCC1(CN2CCC(SC)CC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is FEVZZJIXJBJAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-14-9-13(5-8-16-11-13)10-15-6-3-12(17-2)4-7-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 258.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 114238073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).