ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate

C17H31N3O5S — CID 113137420

IUPACethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C2CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H31N3O5S/c1-3-25-17(22)19-13-11-18(12-14-19)16(21)9-10-20(26(2,23)24)15-7-5-4-6-8-15/h15H,3-14H2,1-2H3
InChIKeyRYJXLVNIJCNFPA-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.27
Rot. Bonds6

About ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 113137420) has the molecular formula C17H31N3O5S and a molecular weight of 389.52 g/mol. Its IUPAC name is ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID113137420
Molecular FormulaC17H31N3O5S
Molecular Weight389.52 g/mol
Exact Mass389.20
IUPAC Nameethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C2CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H31N3O5S/c1-3-25-17(22)19-13-11-18(12-14-19)16(21)9-10-20(26(2,23)24)15-7-5-4-6-8-15/h15H,3-14H2,1-2H3
InChIKeyRYJXLVNIJCNFPA-UHFFFAOYSA-N
XLogP1.27
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[N-cyclohexyl-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate
CID 1090900
Ethyl 4-[4-(methylsulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 777566
Methyl 3-[cyclohexyl-(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 167524682
Ethyl 4-[[3-(cyclohexylamino)-3-oxopropyl]sulfamoyl]piperazine-1-carboxylate
CID 56052401
Ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
CID 113056403
Ethyl 4-[methylsulfonyl-[2-(propanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113067908
Ethyl 4-[3-[acetyl(cyclohexyl)amino]propanoyl]piperazine-1-carboxylate
CID 113116566
Ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoyl]piperazine-1-carboxylate
CID 113135909
Ethyl 4-[3-[methylsulfonyl(propan-2-yl)amino]propanoyl]piperazine-1-carboxylate
CID 113136106
Ethyl 4-[3-[cyclopropyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136304
Ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoylamino]piperidine-1-carboxylate
CID 113136689
Ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136690

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate (CID 113137420) is ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCN(C2CCCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is RYJXLVNIJCNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O5S/c1-3-25-17(22)19-13-11-18(12-14-19)16(21)9-10-20(26(2,23)24)15-7-5-4-6-8-15/h15H,3-14H2,1-2H3.
What are the key properties of ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 389.52 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[cyclohexyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 113137420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).