[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone

C14H21N3O2S — CID 142264915

IUPAC[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone
SMILESCCCc1ccc(N2CCN(S(C)(=O)=C=O)CC2)nc1
InChIInChI=1S/C14H21N3O2S/c1-3-4-13-5-6-14(15-11-13)16-7-9-17(10-8-16)20(2,19)12-18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyQYYUEQYYIPFVEI-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.05
Rot. Bonds4

About [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone

[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone (PubChem CID 142264915) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone.

Molecular Properties

Compound Name[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone
PubChem CID142264915
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone
SMILESCCCc1ccc(N2CCN(S(C)(=O)=C=O)CC2)nc1
InChIInChI=1S/C14H21N3O2S/c1-3-4-13-5-6-14(15-11-13)16-7-9-17(10-8-16)20(2,19)12-18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyQYYUEQYYIPFVEI-UHFFFAOYSA-N
XLogP1.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162326281
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
CID 82840203
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]sulfonyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 21069061
6-[4-(2-phenylethylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645087
1-(4-ethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 29347792
(3R,4S)-1-[5-(methylsulfonylmethyl)-2-pyridinyl]-4-propylpyrrolidin-3-amine
CID 72896373

Frequently Asked Questions

What is the IUPAC name of [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone?
The IUPAC name of [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone (CID 142264915) is [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone.
What is the SMILES notation for [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone?
The canonical SMILES for [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone is CCCc1ccc(N2CCN(S(C)(=O)=C=O)CC2)nc1.
What is the InChIKey of [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone?
The InChIKey is QYYUEQYYIPFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-4-13-5-6-14(15-11-13)16-7-9-17(10-8-16)20(2,19)12-18/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone?
[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone is sourced from PubChem (CID 142264915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).