N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine

C14H28N2S — CID 54893757

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine
SMILESCC(CNC1CCSCC1)CN1CCCCC1
InChIInChI=1S/C14H28N2S/c1-13(12-16-7-3-2-4-8-16)11-15-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3
InChIKeyHPFCHMYAGJLYKV-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds5

About N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine

N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine (PubChem CID 54893757) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine
PubChem CID54893757
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine
SMILESCC(CNC1CCSCC1)CN1CCCCC1
InChIInChI=1S/C14H28N2S/c1-13(12-16-7-3-2-4-8-16)11-15-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3
InChIKeyHPFCHMYAGJLYKV-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
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-3-piperidin-1-ylpropyl)thian-4-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine (CID 54893757) is N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine is CC(CNC1CCSCC1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine?
The InChIKey is HPFCHMYAGJLYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(12-16-7-3-2-4-8-16)11-15-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3.
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine has a molecular weight of 256.46 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-3-piperidin-1-ylpropyl)thian-4-amine is sourced from PubChem (CID 54893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).