piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone

C14H25N3OS — CID 54981939

IUPACpiperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C1CCSCC1)N1CCNCC1
InChIInChI=1S/C14H25N3OS/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2
InChIKeyMOIAFCBNKFYNBQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.78
Rot. Bonds2

About piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone

piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone (PubChem CID 54981939) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
PubChem CID54981939
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Namepiperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C1CCSCC1)N1CCNCC1
InChIInChI=1S/C14H25N3OS/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2
InChIKeyMOIAFCBNKFYNBQ-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
[1-(oxolan-3-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63333598
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
[1-(2-hydroxycyclopentyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175530
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
1-(thiepan-4-yl)pyrrolidine-2-carboxylic acid
CID 164646520
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 64754973
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604814

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone (CID 54981939) is piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1C1CCSCC1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone?
The InChIKey is MOIAFCBNKFYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2.
What are the key properties of piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone?
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone has a molecular weight of 283.44 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 54981939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).