(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one

C16H21ClN2O4S2 — CID 124887860

IUPAC(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one
SMILESO=C1O[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2
InChIInChI=1S/C16H21ClN2O4S2/c17-13-2-3-14(24-13)25(21,22)19-8-6-18(7-9-19)11-12-10-16(4-1-5-16)15(20)23-12/h2-3,12H,1,4-11H2/t12-/m1/s1
InChIKeyHWHZVYNRWMIGPA-GFCCVEGCSA-N
MW404.94 g/mol
LogP2.19
Rot. Bonds4

About (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one

(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one (PubChem CID 124887860) has the molecular formula C16H21ClN2O4S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one
PubChem CID124887860
Molecular FormulaC16H21ClN2O4S2
Molecular Weight404.94 g/mol
Exact Mass404.06
IUPAC Name(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one
SMILESO=C1O[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2
InChIInChI=1S/C16H21ClN2O4S2/c17-13-2-3-14(24-13)25(21,22)19-8-6-18(7-9-19)11-12-10-16(4-1-5-16)15(20)23-12/h2-3,12H,1,4-11H2/t12-/m1/s1
InChIKeyHWHZVYNRWMIGPA-GFCCVEGCSA-N
XLogP2.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
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CID 60575695
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
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1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
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CID 155976722
1-(5-bromothiophen-2-yl)sulfonyl-4-(oxolan-2-ylmethyl)piperazine
CID 60639718
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
CID 59324498
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 9244177
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one (CID 124887860) is (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one is O=C1O[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2.
What is the InChIKey of (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one?
The InChIKey is HWHZVYNRWMIGPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN2O4S2/c17-13-2-3-14(24-13)25(21,22)19-8-6-18(7-9-19)11-12-10-16(4-1-5-16)15(20)23-12/h2-3,12H,1,4-11H2/t12-/m1/s1.
What are the key properties of (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one?
(7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one has a molecular weight of 404.94 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 124887860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).