N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine

C16H26N2OS — CID 119932369

IUPACN-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCC(c1ccc(S(C)=O)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H26N2OS/c1-13(15-4-6-16(7-5-15)20(3)19)18(2)12-14-8-10-17-11-9-14/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyUPWUWRHFEGNYCQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine

N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 119932369) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID119932369
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCC(c1ccc(S(C)=O)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H26N2OS/c1-13(15-4-6-16(7-5-15)20(3)19)18(2)12-14-8-10-17-11-9-14/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyUPWUWRHFEGNYCQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
CID 119929715
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120849575
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79708382
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 79707423
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 120848749
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 119932369) is N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine is CC(c1ccc(S(C)=O)cc1)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is UPWUWRHFEGNYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13(15-4-6-16(7-5-15)20(3)19)18(2)12-14-8-10-17-11-9-14/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine?
N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 294.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 119932369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).