N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide

C16H25N3O2S — CID 131895770

IUPACN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCN(C)CCN(CC1CCCO1)C(=O)CSc1ccncc1
InChIInChI=1S/C16H25N3O2S/c1-18(2)9-10-19(12-14-4-3-11-21-14)16(20)13-22-15-5-7-17-8-6-15/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyKIFPFMOWGVCUES-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide

N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 131895770) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID131895770
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCN(C)CCN(CC1CCCO1)C(=O)CSc1ccncc1
InChIInChI=1S/C16H25N3O2S/c1-18(2)9-10-19(12-14-4-3-11-21-14)16(20)13-22-15-5-7-17-8-6-15/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyKIFPFMOWGVCUES-UHFFFAOYSA-N
XLogP1.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95158383
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97434018
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202301
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202300
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 86840515
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide (CID 131895770) is N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide is CN(C)CCN(CC1CCCO1)C(=O)CSc1ccncc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is KIFPFMOWGVCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18(2)9-10-19(12-14-4-3-11-21-14)16(20)13-22-15-5-7-17-8-6-15/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide?
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 323.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 131895770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).