1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine

C15H24N2O4S2 — CID 110819064

IUPAC1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-4-13-22(18,19)16-9-11-17(12-10-16)23(20,21)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKVUYMQWJZOTOTQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.43
Rot. Bonds6

About 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine

1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 110819064) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID110819064
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-4-13-22(18,19)16-9-11-17(12-10-16)23(20,21)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKVUYMQWJZOTOTQ-UHFFFAOYSA-N
XLogP1.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110819058
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
CID 51170108
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(4-butylsulfonylpiperazin-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 108569153
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
N,N-diethyl-4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]aniline
CID 113078885

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine (CID 110819064) is 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is KVUYMQWJZOTOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-4-13-22(18,19)16-9-11-17(12-10-16)23(20,21)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine?
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 360.50 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110819064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).