[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone

C11H20N2OS — CID 119560753

IUPAC[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
SMILESCNC1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C11H20N2OS/c1-12-9-4-6-13(7-5-9)11(14)10-3-2-8-15-10/h9-10,12H,2-8H2,1H3
InChIKeyWAZDHDONDVWBOQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone

[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone (PubChem CID 119560753) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
PubChem CID119560753
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
SMILESCNC1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C11H20N2OS/c1-12-9-4-6-13(7-5-9)11(14)10-3-2-8-15-10/h9-10,12H,2-8H2,1H3
InChIKeyWAZDHDONDVWBOQ-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
CID 119423169
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
(4-bromo-3-methylpiperidin-1-yl)-(thiolan-2-yl)methanone
CID 114683554
(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
CID 130626212
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiolan-2-yl)methanone
CID 79040739
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
(3-bromopiperidin-1-yl)-(thiolan-2-yl)methanone
CID 80661060
4-(thiane-2-carbonyl)piperazine-1-carbaldehyde
CID 110850168
2-[4-(thiane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 80594583

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone (CID 119560753) is [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone is CNC1CCN(C(=O)C2CCCS2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone?
The InChIKey is WAZDHDONDVWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-12-9-4-6-13(7-5-9)11(14)10-3-2-8-15-10/h9-10,12H,2-8H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone is sourced from PubChem (CID 119560753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).