(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide

C20H33N5O4S — CID 130310184

IUPAC(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ncccn2)CC1
InChIInChI=1S/C20H33N5O4S/c1-3-21-20(26)25-13-4-6-17(24-30(2,27)28)18(25)14-29-16-9-7-15(8-10-16)19-22-11-5-12-23-19/h5,11-12,15-18,24H,3-4,6-10,13-14H2,1-2H3,(H,21,26)/t15?,16?,17-,18-/m0/s1
InChIKeyQOFQUYNHZCCTHH-FOIPXRHGSA-N
MW439.58 g/mol
LogP1.63
Rot. Bonds7

About (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide

(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (PubChem CID 130310184) has the molecular formula C20H33N5O4S and a molecular weight of 439.58 g/mol. Its IUPAC name is (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
PubChem CID130310184
Molecular FormulaC20H33N5O4S
Molecular Weight439.58 g/mol
Exact Mass439.23
IUPAC Name(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ncccn2)CC1
InChIInChI=1S/C20H33N5O4S/c1-3-21-20(26)25-13-4-6-17(24-30(2,27)28)18(25)14-29-16-9-7-15(8-10-16)19-22-11-5-12-23-19/h5,11-12,15-18,24H,3-4,6-10,13-14H2,1-2H3,(H,21,26)/t15?,16?,17-,18-/m0/s1
InChIKeyQOFQUYNHZCCTHH-FOIPXRHGSA-N
XLogP1.63
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10287305, Example 286
CID 130310330
US10287305, Example 313
CID 130310355
US10287305, Example 341
CID 130310381
US10287305, Example 342
CID 130310383
US10287305, Example 211
CID 130310262
US10287305, Example 29
CID 130310101
US10287305, Example 151
CID 130310211
US10287305, Example 196
CID 130310249
US10287305, Example 208
CID 130310269
US10287305, Example 255
CID 130310307
US10287305, Example 284
CID 130310329
US10287305, Example 287
CID 130310332

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (CID 130310184) is (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ncccn2)CC1.
What is the InChIKey of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The InChIKey is QOFQUYNHZCCTHH-FOIPXRHGSA-N. The full InChI is InChI=1S/C20H33N5O4S/c1-3-21-20(26)25-13-4-6-17(24-30(2,27)28)18(25)14-29-16-9-7-15(8-10-16)19-22-11-5-12-23-19/h5,11-12,15-18,24H,3-4,6-10,13-14H2,1-2H3,(H,21,26)/t15?,16?,17-,18-/m0/s1.
What are the key properties of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-pyrimidin-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 130310184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).