1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

C12H19ClN2O2S2 — CID 113074876

IUPAC1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-12(2,3)14-6-8-15(9-7-14)19(16,17)11-5-4-10(13)18-11/h4-5H,6-9H2,1-3H3
InChIKeyKNDHYKCWRDEWRZ-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.51
Rot. Bonds2

About 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (PubChem CID 113074876) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
PubChem CID113074876
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-12(2,3)14-6-8-15(9-7-14)19(16,17)11-5-4-10(13)18-11/h4-5H,6-9H2,1-3H3
InChIKeyKNDHYKCWRDEWRZ-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60676123
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 63340783
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (CID 113074876) is 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is CC(C)(C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The InChIKey is KNDHYKCWRDEWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-12(2,3)14-6-8-15(9-7-14)19(16,17)11-5-4-10(13)18-11/h4-5H,6-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine has a molecular weight of 322.88 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113074876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).