N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine

C13H28N2S — CID 115726046

IUPACN-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESCSC(C)(C)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2S/c1-11(2)15-8-6-12(7-9-15)14-10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyYSPPCPLRVZLVGL-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds5

About N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine

N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 115726046) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID115726046
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESCSC(C)(C)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2S/c1-11(2)15-8-6-12(7-9-15)14-10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyYSPPCPLRVZLVGL-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine (CID 115726046) is N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine is CSC(C)(C)CNC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is YSPPCPLRVZLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-11(2)15-8-6-12(7-9-15)14-10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 115726046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).