1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

C19H30N2O4S — CID 17468522

IUPAC1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H30N2O4S/c1-24-18-9-8-17(14-19(18)25-2)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3
InChIKeyKZOPDJMHDSKOLP-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.59
Rot. Bonds6

About 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 17468522) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID17468522
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H30N2O4S/c1-24-18-9-8-17(14-19(18)25-2)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3
InChIKeyKZOPDJMHDSKOLP-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 9435637
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (CID 17468522) is 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1OC.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is KZOPDJMHDSKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-24-18-9-8-17(14-19(18)25-2)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 382.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 17468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).