N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine

C15H24N2O2S — CID 83007460

IUPACN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine
SMILESCOc1cc(CNN2CCCCC2)c(SC)cc1OC
InChIInChI=1S/C15H24N2O2S/c1-18-13-9-12(15(20-3)10-14(13)19-2)11-16-17-7-5-4-6-8-17/h9-10,16H,4-8,11H2,1-3H3
InChIKeyABSDITIGHDGHBE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.92
Rot. Bonds6

About N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine (PubChem CID 83007460) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine
PubChem CID83007460
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine
SMILESCOc1cc(CNN2CCCCC2)c(SC)cc1OC
InChIInChI=1S/C15H24N2O2S/c1-18-13-9-12(15(20-3)10-14(13)19-2)11-16-17-7-5-4-6-8-17/h9-10,16H,4-8,11H2,1-3H3
InChIKeyABSDITIGHDGHBE-UHFFFAOYSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64988879
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673856
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696344
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 64988249
5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol
CID 83006608
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 64988157
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115646551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743388
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832215

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine (CID 83007460) is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine is COc1cc(CNN2CCCCC2)c(SC)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine?
The InChIKey is ABSDITIGHDGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-18-13-9-12(15(20-3)10-14(13)19-2)11-16-17-7-5-4-6-8-17/h9-10,16H,4-8,11H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine?
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine has a molecular weight of 296.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83007460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).