ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate

C21H33N3O5S — CID 24553992

IUPACethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C21H33N3O5S/c1-7-29-21(26)24-10-8-18(9-11-24)22-20(25)17(6)23-30(27,28)19-15(4)13(2)12-14(3)16(19)5/h12,17-18,23H,7-11H2,1-6H3,(H,22,25)/t17-/m0/s1
InChIKeyHKYVUWKBOQVNBL-KRWDZBQOSA-N
MW439.58 g/mol
LogP2.32
Rot. Bonds6

About ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate (PubChem CID 24553992) has the molecular formula C21H33N3O5S and a molecular weight of 439.58 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
PubChem CID24553992
Molecular FormulaC21H33N3O5S
Molecular Weight439.58 g/mol
Exact Mass439.21
IUPAC Nameethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C21H33N3O5S/c1-7-29-21(26)24-10-8-18(9-11-24)22-20(25)17(6)23-30(27,28)19-15(4)13(2)12-14(3)16(19)5/h12,17-18,23H,7-11H2,1-6H3,(H,22,25)/t17-/m0/s1
InChIKeyHKYVUWKBOQVNBL-KRWDZBQOSA-N
XLogP2.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-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

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 42943353
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate (CID 24553992) is ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate?
The InChIKey is HKYVUWKBOQVNBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N3O5S/c1-7-29-21(26)24-10-8-18(9-11-24)22-20(25)17(6)23-30(27,28)19-15(4)13(2)12-14(3)16(19)5/h12,17-18,23H,7-11H2,1-6H3,(H,22,25)/t17-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate has a molecular weight of 439.58 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24553992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).