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

C20H37N3O4S — CID 130310170

IUPAC(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCC(C)C1CCC(OC[C@H]2[C@@H](NS(C)(=O)=O)CCCN2C(=O)NC2CC2)CC1
InChIInChI=1S/C20H37N3O4S/c1-14(2)15-6-10-17(11-7-15)27-13-19-18(22-28(3,25)26)5-4-12-23(19)20(24)21-16-8-9-16/h14-19,22H,4-13H2,1-3H3,(H,21,24)/t15?,17?,18-,19-/m0/s1
InChIKeySYMLSIDNJOTLRU-FYOYPEGLSA-N
MW415.60 g/mol
LogP2.47
Rot. Bonds7

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

(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (PubChem CID 130310170) has the molecular formula C20H37N3O4S and a molecular weight of 415.60 g/mol. Its IUPAC name is (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
PubChem CID130310170
Molecular FormulaC20H37N3O4S
Molecular Weight415.60 g/mol
Exact Mass415.25
IUPAC Name(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCC(C)C1CCC(OC[C@H]2[C@@H](NS(C)(=O)=O)CCCN2C(=O)NC2CC2)CC1
InChIInChI=1S/C20H37N3O4S/c1-14(2)15-6-10-17(11-7-15)27-13-19-18(22-28(3,25)26)5-4-12-23(19)20(24)21-16-8-9-16/h14-19,22H,4-13H2,1-3H3,(H,21,24)/t15?,17?,18-,19-/m0/s1
InChIKeySYMLSIDNJOTLRU-FYOYPEGLSA-N
XLogP2.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-(oxetane-3-carbonyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310402
N-[(2R,3S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 140802370
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxamide
CID 154681390
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
propan-2-yl 3-(methanesulfonamido)-5-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 154681456
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
ethyl (2S,3R,5S)-3-(methanesulfonamido)-5-methyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 155054637
methyl (2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 130310270
N-[(2R,3S)-1-acetyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310293
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (CID 130310170) is (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is CC(C)C1CCC(OC[C@H]2[C@@H](NS(C)(=O)=O)CCCN2C(=O)NC2CC2)CC1.
What is the InChIKey of (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The InChIKey is SYMLSIDNJOTLRU-FYOYPEGLSA-N. The full InChI is InChI=1S/C20H37N3O4S/c1-14(2)15-6-10-17(11-7-15)27-13-19-18(22-28(3,25)26)5-4-12-23(19)20(24)21-16-8-9-16/h14-19,22H,4-13H2,1-3H3,(H,21,24)/t15?,17?,18-,19-/m0/s1.
What are the key properties of (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 130310170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).