1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine

C15H24N2S — CID 61212533

IUPAC1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
SMILESCSc1ccc(C(C)NC2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-12(13-6-8-15(18-3)9-7-13)16-14-5-4-10-17(2)11-14/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyKHAPXTNRUYROLV-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.15
Rot. Bonds4

About 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine

1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine (PubChem CID 61212533) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
PubChem CID61212533
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
SMILESCSc1ccc(C(C)NC2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-12(13-6-8-15(18-3)9-7-13)16-14-5-4-10-17(2)11-14/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyKHAPXTNRUYROLV-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210084
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine (CID 61212533) is 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine is CSc1ccc(C(C)NC2CCCN(C)C2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine?
The InChIKey is KHAPXTNRUYROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(13-6-8-15(18-3)9-7-13)16-14-5-4-10-17(2)11-14/h6-9,12,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine?
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine has a molecular weight of 264.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61212533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).