N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide

C16H28N2O2S — CID 61029247

IUPACN-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
SMILESO=C(CC1CCNCC1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C16H28N2O2S/c19-16(10-13-3-6-17-7-4-13)18(14-5-9-21-12-14)11-15-2-1-8-20-15/h13-15,17H,1-12H2
InChIKeyMJSHBZLTRGREDE-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.89
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide

N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide (PubChem CID 61029247) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
PubChem CID61029247
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
SMILESO=C(CC1CCNCC1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C16H28N2O2S/c19-16(10-13-3-6-17-7-4-13)18(14-5-9-21-12-14)11-15-2-1-8-20-15/h13-15,17H,1-12H2
InChIKeyMJSHBZLTRGREDE-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-4-ylacetamide
CID 61435803
N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939929
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
(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-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
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
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide (CID 61029247) is N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide is O=C(CC1CCNCC1)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The InChIKey is MJSHBZLTRGREDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c19-16(10-13-3-6-17-7-4-13)18(14-5-9-21-12-14)11-15-2-1-8-20-15/h13-15,17H,1-12H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide has a molecular weight of 312.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 61029247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).