ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate

C15H27N3O5S — CID 113148885

IUPACethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C2CCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-10-8-16(9-11-17)14(19)12-18(24(2,21)22)13-6-4-5-7-13/h13H,3-12H2,1-2H3
InChIKeyFZYQWPVWAXRZKF-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.49
Rot. Bonds5

About ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 113148885) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID113148885
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nameethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C2CCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-10-8-16(9-11-17)14(19)12-18(24(2,21)22)13-6-4-5-7-13/h13H,3-12H2,1-2H3
InChIKeyFZYQWPVWAXRZKF-UHFFFAOYSA-N
XLogP0.49
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[N-cyclohexyl-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate
CID 1090900
Ethyl 4-[2-[methyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate
CID 30464639
Ethyl 4-(1-methylsulfonyl-5-oxopyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110387814
Ethyl 4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110753699
Ethyl 4-[methyl(methylsulfonyl)amino]piperidine-1-carboxylate
CID 110868287
Ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
CID 113056403
Ethyl 4-[2-acetamidoethyl(methylsulfonyl)amino]piperidine-1-carboxylate
CID 113067907
Ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113137250
Ethyl 4-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113147513
Ethyl 4-[2-[methylsulfonyl(propyl)amino]acetyl]piperazine-1-carboxylate
CID 113147514
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147652
Ethyl 4-[[2-[methylsulfonyl(propan-2-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113147705

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate (CID 113148885) is ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(C2CCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is FZYQWPVWAXRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-3-23-15(20)17-10-8-16(9-11-17)14(19)12-18(24(2,21)22)13-6-4-5-7-13/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[cyclopentyl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 113148885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).