piperidin-1-yl(thian-2-yl)methanone

C11H19NOS — CID 80596392

IUPACpiperidin-1-yl(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCCCC1
InChIInChI=1S/C11H19NOS/c13-11(10-6-2-5-9-14-10)12-7-3-1-4-8-12/h10H,1-9H2
InChIKeyYHLZQKJGXCRQOP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds1

About piperidin-1-yl(thian-2-yl)methanone

piperidin-1-yl(thian-2-yl)methanone (PubChem CID 80596392) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is piperidin-1-yl(thian-2-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(thian-2-yl)methanone
PubChem CID80596392
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Namepiperidin-1-yl(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCCCC1
InChIInChI=1S/C11H19NOS/c13-11(10-6-2-5-9-14-10)12-7-3-1-4-8-12/h10H,1-9H2
InChIKeyYHLZQKJGXCRQOP-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(thiane-2-carbonyl)piperazine-1-carbaldehyde
CID 110850168
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
2-[4-(thiane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 80594583
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
CID 82691873
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
(3-bromopiperidin-1-yl)-(thiolan-2-yl)methanone
CID 80661060
(2R)-1-(thiane-2-carbonyl)piperidine-2-carboxylic acid
CID 80594026
[3-(bromomethyl)azetidin-1-yl]-(thian-2-yl)methanone
CID 130531474
azepan-1-yl(thian-4-yl)methanone
CID 110856329

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(thian-2-yl)methanone?
The IUPAC name of piperidin-1-yl(thian-2-yl)methanone (CID 80596392) is piperidin-1-yl(thian-2-yl)methanone.
What is the SMILES notation for piperidin-1-yl(thian-2-yl)methanone?
The canonical SMILES for piperidin-1-yl(thian-2-yl)methanone is O=C(C1CCCCS1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(thian-2-yl)methanone?
The InChIKey is YHLZQKJGXCRQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c13-11(10-6-2-5-9-14-10)12-7-3-1-4-8-12/h10H,1-9H2.
What are the key properties of piperidin-1-yl(thian-2-yl)methanone?
piperidin-1-yl(thian-2-yl)methanone has a molecular weight of 213.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(thian-2-yl)methanone is sourced from PubChem (CID 80596392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).