ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate

C12H23NO5S — CID 55173077

IUPACethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)CCCOC)CC1
InChIInChI=1S/C12H23NO5S/c1-3-18-12(14)11-5-7-13(8-6-11)19(15,16)10-4-9-17-2/h11H,3-10H2,1-2H3
InChIKeyWOGSZNFZFRWVKP-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.63
Rot. Bonds7

About ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate

ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate (PubChem CID 55173077) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
PubChem CID55173077
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Nameethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)CCCOC)CC1
InChIInChI=1S/C12H23NO5S/c1-3-18-12(14)11-5-7-13(8-6-11)19(15,16)10-4-9-17-2/h11H,3-10H2,1-2H3
InChIKeyWOGSZNFZFRWVKP-UHFFFAOYSA-N
XLogP0.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
ethyl (3S)-1-(4-methoxy-4-oxobutyl)sulfonylpiperidine-3-carboxylate
CID 81308490
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate (CID 55173077) is ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)CCCOC)CC1.
What is the InChIKey of ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate?
The InChIKey is WOGSZNFZFRWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-3-18-12(14)11-5-7-13(8-6-11)19(15,16)10-4-9-17-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate?
ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate has a molecular weight of 293.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55173077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).