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

C12H22N2OS — CID 80595775

IUPAC[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCC1CCCCN1C(=O)C1CCCCS1
InChIInChI=1S/C12H22N2OS/c13-9-10-5-1-3-7-14(10)12(15)11-6-2-4-8-16-11/h10-11H,1-9,13H2
InChIKeyBZKNXHMFVUPOBF-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.61
Rot. Bonds2

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

[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone (PubChem CID 80595775) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
PubChem CID80595775
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCC1CCCCN1C(=O)C1CCCCS1
InChIInChI=1S/C12H22N2OS/c13-9-10-5-1-3-7-14(10)12(15)11-6-2-4-8-16-11/h10-11H,1-9,13H2
InChIKeyBZKNXHMFVUPOBF-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80596527
[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
(2R)-1-(thiane-2-carbonyl)piperidine-2-carboxylic acid
CID 80594026
N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
CID 77041398
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
[2-(aminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103805999

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone (CID 80595775) is [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone is NCC1CCCCN1C(=O)C1CCCCS1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The InChIKey is BZKNXHMFVUPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c13-9-10-5-1-3-7-14(10)12(15)11-6-2-4-8-16-11/h10-11H,1-9,13H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 80595775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).