1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine

C19H30N2O2S — CID 113074953

IUPAC1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2S/c1-16-9-10-19(15-17(16)2)24(22,23)21-13-11-20(12-14-21)18-7-5-3-4-6-8-18/h9-10,15,18H,3-8,11-14H2,1-2H3
InChIKeyMMFYEEZZXVZRSJ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.33
Rot. Bonds3

About 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine

1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 113074953) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID113074953
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2S/c1-16-9-10-19(15-17(16)2)24(22,23)21-13-11-20(12-14-21)18-7-5-3-4-6-8-18/h9-10,15,18H,3-8,11-14H2,1-2H3
InChIKeyMMFYEEZZXVZRSJ-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 66203901
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 56513505
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 113074953) is 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1C.
What is the InChIKey of 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is MMFYEEZZXVZRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-9-10-19(15-17(16)2)24(22,23)21-13-11-20(12-14-21)18-7-5-3-4-6-8-18/h9-10,15,18H,3-8,11-14H2,1-2H3.
What are the key properties of 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 350.53 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113074953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).