[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone

C13H24N2OS — CID 80595049

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCCC1CCN(C(=O)C2CCCCS2)CC1
InChIInChI=1S/C13H24N2OS/c14-7-4-11-5-8-15(9-6-11)13(16)12-3-1-2-10-17-12/h11-12H,1-10,14H2
InChIKeyNGMGSEQLUBBPCC-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.86
Rot. Bonds3

About [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone

[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone (PubChem CID 80595049) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
PubChem CID80595049
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
SMILESNCCC1CCN(C(=O)C2CCCCS2)CC1
InChIInChI=1S/C13H24N2OS/c14-7-4-11-5-8-15(9-6-11)13(16)12-3-1-2-10-17-12/h11-12H,1-10,14H2
InChIKeyNGMGSEQLUBBPCC-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
CID 119423169
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
[3-(6-aminohexyl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 168813793
[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80596527
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
CID 82691873
[3-(bromomethyl)azetidin-1-yl]-(thian-2-yl)methanone
CID 130531474
4-(thiane-2-carbonyl)piperazine-1-carbaldehyde
CID 110850168
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone (CID 80595049) is [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone is NCCC1CCN(C(=O)C2CCCCS2)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
The InChIKey is NGMGSEQLUBBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-7-4-11-5-8-15(9-6-11)13(16)12-3-1-2-10-17-12/h11-12H,1-10,14H2.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone?
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone has a molecular weight of 256.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 80595049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).