[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium

C15H20N5O6S+ — CID 156593224

IUPAC[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium
SMILESCN1C(=[NH2+])C(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H19N5O6S/c1-17-12(16)11(14(22)18(2)15(17)23)27(24,25)20-7-5-19(6-8-20)13(21)10-4-3-9-26-10/h3-4,9,11,16H,5-8H2,1-2H3/p+1
InChIKeyJTMQHMALFZXROI-UHFFFAOYSA-O
MW398.42 g/mol
LogP-2.58
Rot. Bonds3

About [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium

[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium (PubChem CID 156593224) has the molecular formula C15H20N5O6S+ and a molecular weight of 398.42 g/mol. Its IUPAC name is [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium.

Molecular Properties

Compound Name[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium
PubChem CID156593224
Molecular FormulaC15H20N5O6S+
Molecular Weight398.42 g/mol
Exact Mass398.11
IUPAC Name[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium
SMILESCN1C(=[NH2+])C(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H19N5O6S/c1-17-12(16)11(14(22)18(2)15(17)23)27(24,25)20-7-5-19(6-8-20)13(21)10-4-3-9-26-10/h3-4,9,11,16H,5-8H2,1-2H3/p+1
InChIKeyJTMQHMALFZXROI-UHFFFAOYSA-O
XLogP-2.58
TPSA137.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
7-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 78437653
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
2-[8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetamide
CID 78354017

Frequently Asked Questions

What is the IUPAC name of [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium?
The IUPAC name of [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium (CID 156593224) is [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium.
What is the SMILES notation for [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium?
The canonical SMILES for [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium is CN1C(=[NH2+])C(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)N(C)C1=O.
What is the InChIKey of [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium?
The InChIKey is JTMQHMALFZXROI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N5O6S/c1-17-12(16)11(14(22)18(2)15(17)23)27(24,25)20-7-5-19(6-8-20)13(21)10-4-3-9-26-10/h3-4,9,11,16H,5-8H2,1-2H3/p+1.
What are the key properties of [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium?
[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium has a molecular weight of 398.42 g/mol, XLogP of -2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium is sourced from PubChem (CID 156593224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).