ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate

C14H21N3O4S — CID 36834270

IUPACethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)nc1
InChIInChI=1S/C14H21N3O4S/c1-3-21-14(18)11-6-7-13(15-9-11)17-8-4-5-12(10-17)16-22(2,19)20/h6-7,9,12,16H,3-5,8,10H2,1-2H3/t12-/m0/s1
InChIKeyAHUOYZXNUPVQBS-LBPRGKRZSA-N
MW327.41 g/mol
LogP0.78
Rot. Bonds5

About ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate

ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 36834270) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID36834270
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Nameethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)nc1
InChIInChI=1S/C14H21N3O4S/c1-3-21-14(18)11-6-7-13(15-9-11)17-8-4-5-12(10-17)16-22(2,19)20/h6-7,9,12,16H,3-5,8,10H2,1-2H3/t12-/m0/s1
InChIKeyAHUOYZXNUPVQBS-LBPRGKRZSA-N
XLogP0.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate (CID 36834270) is ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)nc1.
What is the InChIKey of ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is AHUOYZXNUPVQBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-3-21-14(18)11-6-7-13(15-9-11)17-8-4-5-12(10-17)16-22(2,19)20/h6-7,9,12,16H,3-5,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate?
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 36834270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).