ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate

C19H29N3O5S — CID 47030330

IUPACethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C19H29N3O5S/c1-2-26-19(23)16-6-5-11-22(14-16)28(24,25)21-13-15-9-10-20-18(12-15)27-17-7-3-4-8-17/h9-10,12,16-17,21H,2-8,11,13-14H2,1H3
InChIKeyPVNYKZJWNHERAO-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.01
Rot. Bonds8

About ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate

ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate (PubChem CID 47030330) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate
PubChem CID47030330
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Nameethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C19H29N3O5S/c1-2-26-19(23)16-6-5-11-22(14-16)28(24,25)21-13-15-9-10-20-18(12-15)27-17-7-3-4-8-17/h9-10,12,16-17,21H,2-8,11,13-14H2,1H3
InChIKeyPVNYKZJWNHERAO-UHFFFAOYSA-N
XLogP2.01
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
CID 65112821
ethyl (3S)-1-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 25314851
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (3S)-1-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]piperidine-3-carboxylate
CID 100900733
ethyl 1-[(4-methylphenyl)methylsulfonyl]piperidine-3-carboxylate
CID 110756011
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
ethyl 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
CID 103815305

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate (CID 47030330) is ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C1.
What is the InChIKey of ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate?
The InChIKey is PVNYKZJWNHERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-2-26-19(23)16-6-5-11-22(14-16)28(24,25)21-13-15-9-10-20-18(12-15)27-17-7-3-4-8-17/h9-10,12,16-17,21H,2-8,11,13-14H2,1H3.
What are the key properties of ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate?
ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate has a molecular weight of 411.52 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 47030330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).