N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide

C18H28N2O2S — CID 95764870

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-8-19-9-5-15(6-10-19)18(21)20(16-7-12-23-14-16)13-17-4-3-11-22-17/h1,15-17H,3-14H2/t16-,17-/m1/s1
InChIKeyMRBLIGGUYXVHKW-IAGOWNOFSA-N
MW336.50 g/mol
LogP1.84
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide (PubChem CID 95764870) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
PubChem CID95764870
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-8-19-9-5-15(6-10-19)18(21)20(16-7-12-23-14-16)13-17-4-3-11-22-17/h1,15-17H,3-14H2/t16-,17-/m1/s1
InChIKeyMRBLIGGUYXVHKW-IAGOWNOFSA-N
XLogP1.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
CID 55613299
1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 55613338
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
CID 62638054
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 55873147
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide (CID 95764870) is N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide is C#CCN1CCC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide?
The InChIKey is MRBLIGGUYXVHKW-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-8-19-9-5-15(6-10-19)18(21)20(16-7-12-23-14-16)13-17-4-3-11-22-17/h1,15-17H,3-14H2/t16-,17-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95764870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).