[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone

C13H24N2OS — CID 80596527

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCCC1CCCCN1C(=O)C1CCCCS1
InChIInChI=1S/C13H24N2OS/c14-8-7-11-5-1-3-9-15(11)13(16)12-6-2-4-10-17-12/h11-12H,1-10,14H2
InChIKeyWSJYDTPRIKOAHK-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.00
Rot. Bonds3

About [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone

[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone (PubChem CID 80596527) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
PubChem CID80596527
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCCC1CCCCN1C(=O)C1CCCCS1
InChIInChI=1S/C13H24N2OS/c14-8-7-11-5-1-3-9-15(11)13(16)12-6-2-4-10-17-12/h11-12H,1-10,14H2
InChIKeyWSJYDTPRIKOAHK-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775
[2-(bromomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80658961
[2-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595569
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
(2R)-1-(thiane-2-carbonyl)piperidine-2-carboxylic acid
CID 80594026
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
CID 77041398
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913
(2R)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594021

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone (CID 80596527) is [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone is NCCC1CCCCN1C(=O)C1CCCCS1.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The InChIKey is WSJYDTPRIKOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-8-7-11-5-1-3-9-15(11)13(16)12-6-2-4-10-17-12/h11-12H,1-10,14H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone has a molecular weight of 256.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 80596527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).