ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate

C15H29N3O4S — CID 30784001

IUPACethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C15H29N3O4S/c1-4-22-15(19)17-7-5-14(6-8-17)16-23(20,21)18-10-12(2)9-13(3)11-18/h12-14,16H,4-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyQVWAUCZJKMNIAV-STQMWFEESA-N
MW347.48 g/mol
LogP1.42
Rot. Bonds4

About ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate

ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 30784001) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
PubChem CID30784001
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Nameethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C15H29N3O4S/c1-4-22-15(19)17-7-5-14(6-8-17)16-23(20,21)18-10-12(2)9-13(3)11-18/h12-14,16H,4-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyQVWAUCZJKMNIAV-STQMWFEESA-N
XLogP1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate (CID 30784001) is ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is QVWAUCZJKMNIAV-STQMWFEESA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-4-22-15(19)17-7-5-14(6-8-17)16-23(20,21)18-10-12(2)9-13(3)11-18/h12-14,16H,4-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 30784001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).