2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine

C14H30N2S — CID 114628447

IUPAC2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCSC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2S/c1-12(2)11-16(13(3)4)9-10-17-14-5-7-15-8-6-14/h12-15H,5-11H2,1-4H3
InChIKeyZQLXHQJAVDGXFY-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds7

About 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine

2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 114628447) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine
PubChem CID114628447
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCSC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2S/c1-12(2)11-16(13(3)4)9-10-17-14-5-7-15-8-6-14/h12-15H,5-11H2,1-4H3
InChIKeyZQLXHQJAVDGXFY-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,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628366
N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine
CID 114628469
N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628753
1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
CID 114628559
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781
N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
CID 79483878
N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
CID 114628566
1-(3-chlorophenyl)-N-methyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628582
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
CID 114626630
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine (CID 114628447) is 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine is CC(C)CN(CCSC1CCNCC1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZQLXHQJAVDGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-12(2)11-16(13(3)4)9-10-17-14-5-7-15-8-6-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine?
2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-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 2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114628447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).