2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone

C13H26N2OS — CID 114127342

IUPAC2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
SMILESCSCCCCCNCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-11-7-2-4-8-14-12-13(16)15-9-5-3-6-10-15/h14H,2-12H2,1H3
InChIKeyNWQMIHKHHANYCG-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds8

About 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone

2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone (PubChem CID 114127342) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
PubChem CID114127342
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
SMILESCSCCCCCNCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-11-7-2-4-8-14-12-13(16)15-9-5-3-6-10-15/h14H,2-12H2,1H3
InChIKeyNWQMIHKHHANYCG-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-piperidin-1-ylethanone
CID 106310504
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
CID 113406276
1-ethyl-3-(4-methylsulfanylbutyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111627205
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone (CID 114127342) is 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone is CSCCCCCNCC(=O)N1CCCCC1.
What is the InChIKey of 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone?
The InChIKey is NWQMIHKHHANYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-17-11-7-2-4-8-14-12-13(16)15-9-5-3-6-10-15/h14H,2-12H2,1H3.
What are the key properties of 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone?
2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone has a molecular weight of 258.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 114127342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).