(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide

C15H22N2O2S — CID 97030699

IUPAC(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C15H22N2O2S/c1-3-17(10-13-7-9-19-11-13)15(18)12(2)20-14-6-4-5-8-16-14/h4-6,8,12-13H,3,7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyCWYRCWFKGIYZGG-CHWSQXEVSA-N
MW294.42 g/mol
LogP2.45
Rot. Bonds6

About (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 97030699) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID97030699
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C15H22N2O2S/c1-3-17(10-13-7-9-19-11-13)15(18)12(2)20-14-6-4-5-8-16-14/h4-6,8,12-13H,3,7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyCWYRCWFKGIYZGG-CHWSQXEVSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
CID 95621072
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
CID 55744625
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60952807
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide (CID 97030699) is (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide is CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)Sc1ccccn1.
What is the InChIKey of (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is CWYRCWFKGIYZGG-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-17(10-13-7-9-19-11-13)15(18)12(2)20-14-6-4-5-8-16-14/h4-6,8,12-13H,3,7,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 97030699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).