ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate

C19H28N2O4S — CID 1262754

IUPACethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-2-25-19(22)20-12-14-21(15-13-20)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3
InChIKeyLRKXEWSWXFXMEH-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.20
Rot. Bonds4

About ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 1262754) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID1262754
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Nameethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-2-25-19(22)20-12-14-21(15-13-20)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3
InChIKeyLRKXEWSWXFXMEH-UHFFFAOYSA-N
XLogP3.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
CID 110803487
ethyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799188
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate (CID 1262754) is ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is LRKXEWSWXFXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-2-25-19(22)20-12-14-21(15-13-20)26(23,24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,16H,2-7,12-15H2,1H3.
What are the key properties of ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 380.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 1262754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).