2-piperidin-3-ylsulfanylpropan-1-amine

C8H18N2S — CID 66244318

IUPAC2-piperidin-3-ylsulfanylpropan-1-amine
SMILESCC(CN)SC1CCCNC1
InChIInChI=1S/C8H18N2S/c1-7(5-9)11-8-3-2-4-10-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyXQPHHQGPQXQOKE-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.82
Rot. Bonds3

About 2-piperidin-3-ylsulfanylpropan-1-amine

2-piperidin-3-ylsulfanylpropan-1-amine (PubChem CID 66244318) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-piperidin-3-ylsulfanylpropan-1-amine
PubChem CID66244318
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-piperidin-3-ylsulfanylpropan-1-amine
SMILESCC(CN)SC1CCCNC1
InChIInChI=1S/C8H18N2S/c1-7(5-9)11-8-3-2-4-10-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyXQPHHQGPQXQOKE-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-3-ylsulfanylbutan-2-amine
CID 66234590
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134
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CID 72716432
2-methoxy-2-piperidin-3-ylethanamine
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N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(2-cyclobutylpropyl)piperidine
CID 130987572
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471
3-(oxetan-3-ylsulfanyl)piperidine
CID 79327109
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfanylpropan-1-amine?
The IUPAC name of 2-piperidin-3-ylsulfanylpropan-1-amine (CID 66244318) is 2-piperidin-3-ylsulfanylpropan-1-amine.
What is the SMILES notation for 2-piperidin-3-ylsulfanylpropan-1-amine?
The canonical SMILES for 2-piperidin-3-ylsulfanylpropan-1-amine is CC(CN)SC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfanylpropan-1-amine?
The InChIKey is XQPHHQGPQXQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(5-9)11-8-3-2-4-10-6-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-piperidin-3-ylsulfanylpropan-1-amine?
2-piperidin-3-ylsulfanylpropan-1-amine has a molecular weight of 174.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfanylpropan-1-amine is sourced from PubChem (CID 66244318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).