1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C19H26N2O2S2 — CID 113076523

IUPAC1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)s1
InChIInChI=1S/C19H26N2O2S2/c1-15-9-10-18(24-15)25(22,23)21-13-11-20(12-14-21)17-8-6-5-7-16(17)19(2,3)4/h5-10H,11-14H2,1-4H3
InChIKeyDJQGEXSCIIEXJK-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 113076523) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID113076523
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)s1
InChIInChI=1S/C19H26N2O2S2/c1-15-9-10-18(24-15)25(22,23)21-13-11-20(12-14-21)17-8-6-5-7-16(17)19(2,3)4/h5-10H,11-14H2,1-4H3
InChIKeyDJQGEXSCIIEXJK-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 26448864
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]quinoline-3-carbonitrile
CID 110348607
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 43073095
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 113076523) is 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)s1.
What is the InChIKey of 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is DJQGEXSCIIEXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-15-9-10-18(24-15)25(22,23)21-13-11-20(12-14-21)17-8-6-5-7-16(17)19(2,3)4/h5-10H,11-14H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 378.56 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113076523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).