(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

C14H21N3O5S — CID 38458239

IUPAC(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H21N3O5S/c1-12-2-9-22-13(12)14(18)15-3-5-16(6-4-15)23(19,20)17-7-10-21-11-8-17/h2,9H,3-8,10-11H2,1H3
InChIKeyVRKXEJJQHJARNB-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.08
Rot. Bonds3

About (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 38458239) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID38458239
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H21N3O5S/c1-12-2-9-22-13(12)14(18)15-3-5-16(6-4-15)23(19,20)17-7-10-21-11-8-17/h2,9H,3-8,10-11H2,1H3
InChIKeyVRKXEJJQHJARNB-UHFFFAOYSA-N
XLogP-0.08
TPSA83.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
1-[4-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 34401527
(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17410586
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51292618
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
CID 129343325
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 38458239) is (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is Cc1ccoc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VRKXEJJQHJARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-12-2-9-22-13(12)14(18)15-3-5-16(6-4-15)23(19,20)17-7-10-21-11-8-17/h2,9H,3-8,10-11H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 38458239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).