(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide

C11H16N2OS — CID 94155976

IUPAC(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCS[C@@H](C)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C11H16N2OS/c1-9(15-3)11(14)13(2)8-10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyDDLBDWMBBLSVFX-VIFPVBQESA-N
MW224.33 g/mol
LogP1.79
Rot. Bonds4

About (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide

(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 94155976) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID94155976
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCS[C@@H](C)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C11H16N2OS/c1-9(15-3)11(14)13(2)8-10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyDDLBDWMBBLSVFX-VIFPVBQESA-N
XLogP1.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
1-methyl-3-(2-phenylsulfanylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 71867697
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide (CID 94155976) is (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide is CS[C@@H](C)C(=O)N(C)Cc1ccncc1.
What is the InChIKey of (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is DDLBDWMBBLSVFX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9(15-3)11(14)13(2)8-10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide?
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 224.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 94155976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).