1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine

C18H28N2O2S — CID 113074976

IUPAC1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C18H28N2O2S/c1-16-7-6-10-18(15-16)23(21,22)20-13-11-19(12-14-20)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3
InChIKeyKHVODAQMMZYLRU-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.02
Rot. Bonds3

About 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine

1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 113074976) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID113074976
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C18H28N2O2S/c1-16-7-6-10-18(15-16)23(21,22)20-13-11-19(12-14-20)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3
InChIKeyKHVODAQMMZYLRU-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4-prop-2-ynylpiperidine
CID 170107299
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine (CID 113074976) is 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)c1.
What is the InChIKey of 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is KHVODAQMMZYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16-7-6-10-18(15-16)23(21,22)20-13-11-19(12-14-20)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3.
What are the key properties of 1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine?
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 336.50 g/mol, XLogP of 3.02, 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-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113074976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).