ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate

C13H25N3O4S — CID 104982617

IUPACethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCNC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-2-20-13(17)11-5-8-16(9-6-11)21(18,19)15-12-4-3-7-14-10-12/h11-12,14-15H,2-10H2,1H3/t12-/m0/s1
InChIKeyCSRMSLDOXAXZPA-LBPRGKRZSA-N
MW319.43 g/mol
LogP-0.15
Rot. Bonds5

About ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate

ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate (PubChem CID 104982617) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
PubChem CID104982617
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Nameethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCNC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-2-20-13(17)11-5-8-16(9-6-11)21(18,19)15-12-4-3-7-14-10-12/h11-12,14-15H,2-10H2,1H3/t12-/m0/s1
InChIKeyCSRMSLDOXAXZPA-LBPRGKRZSA-N
XLogP-0.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate
CID 166223415
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate
CID 66185024
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate (CID 104982617) is ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCNC2)CC1.
What is the InChIKey of ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate?
The InChIKey is CSRMSLDOXAXZPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-2-20-13(17)11-5-8-16(9-6-11)21(18,19)15-12-4-3-7-14-10-12/h11-12,14-15H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate?
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate has a molecular weight of 319.43 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 104982617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).