2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine

C15H32N2S — CID 114628486

IUPAC2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCCSC1CCNCC1
InChIInChI=1S/C15H32N2S/c1-14(2,3)12-15(4,5)17-10-11-18-13-6-8-16-9-7-13/h13,16-17H,6-12H2,1-5H3
InChIKeyQECWCUDVJOCIBO-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.28
Rot. Bonds6

About 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine

2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine (PubChem CID 114628486) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
PubChem CID114628486
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCCSC1CCNCC1
InChIInChI=1S/C15H32N2S/c1-14(2,3)12-15(4,5)17-10-11-18-13-6-8-16-9-7-13/h13,16-17H,6-12H2,1-5H3
InChIKeyQECWCUDVJOCIBO-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114128261
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine (CID 114628486) is 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine is CC(C)(C)CC(C)(C)NCCSC1CCNCC1.
What is the InChIKey of 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine?
The InChIKey is QECWCUDVJOCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-14(2,3)12-15(4,5)17-10-11-18-13-6-8-16-9-7-13/h13,16-17H,6-12H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine?
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine has a molecular weight of 272.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine is sourced from PubChem (CID 114628486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).