N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide

C13H18N2OS — CID 125436602

IUPACN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@H](c1cc(C)ccn1)C1CC1
InChIInChI=1S/C13H18N2OS/c1-9-5-6-14-11(7-9)13(10-3-4-10)15-12(16)8-17-2/h5-7,10,13H,3-4,8H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyIZMFVKVEBHJORJ-ZDUSSCGKSA-N
MW250.37 g/mol
LogP2.32
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide (PubChem CID 125436602) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
PubChem CID125436602
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@H](c1cc(C)ccn1)C1CC1
InChIInChI=1S/C13H18N2OS/c1-9-5-6-14-11(7-9)13(10-3-4-10)15-12(16)8-17-2/h5-7,10,13H,3-4,8H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyIZMFVKVEBHJORJ-ZDUSSCGKSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122565470
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 125442656
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
CID 99953701
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95120246
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 95551290
1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 97204702
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239928

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide (CID 125436602) is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide is CSCC(=O)N[C@H](c1cc(C)ccn1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide?
The InChIKey is IZMFVKVEBHJORJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-5-6-14-11(7-9)13(10-3-4-10)15-12(16)8-17-2/h5-7,10,13H,3-4,8H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide?
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 125436602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).