N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

C14H30N2S — CID 112660945

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1(CC)CCCNC1
InChIInChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)12-14(6-2)8-7-9-15-11-14/h13,15H,5-12H2,1-4H3
InChIKeyZJRNNQSFGYAKFD-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds7

About N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 112660945) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID112660945
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1(CC)CCCNC1
InChIInChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)12-14(6-2)8-7-9-15-11-14/h13,15H,5-12H2,1-4H3
InChIKeyZJRNNQSFGYAKFD-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664870
N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
CID 112661069
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
1-cyclopropyl-N-[(3-ethylpiperidin-3-yl)methyl]-N-methylethanamine
CID 63133014
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254
N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133416
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[(3-ethylpiperidin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63133024

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 112660945) is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)CC1(CC)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is ZJRNNQSFGYAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)12-14(6-2)8-7-9-15-11-14/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112660945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).