2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide

C11H16N2OS — CID 139930594

IUPAC2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide
SMILESCCC(C)(SCc1cccnc1)C(N)=O
InChIInChI=1S/C11H16N2OS/c1-3-11(2,10(12)14)15-8-9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H2,12,14)
InChIKeyVJEUYAXSMSSYFV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide

2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide (PubChem CID 139930594) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound Name2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide
PubChem CID139930594
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide
SMILESCCC(C)(SCc1cccnc1)C(N)=O
InChIInChI=1S/C11H16N2OS/c1-3-11(2,10(12)14)15-8-9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H2,12,14)
InChIKeyVJEUYAXSMSSYFV-UHFFFAOYSA-N
XLogP1.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
pyridin-3-ylmethyl (2S)-2,3-diamino-2-methyl-3-oxopropanoate
CID 69135337
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
2-methoxy-2-(pyridin-3-ylmethoxy)propanamide
CID 57156045
3-(ethylsulfanylmethyl)pyridine
CID 3025109
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
CID 114292663
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
2-(pyridin-3-ylmethylsulfanyl)propanoic acid
CID 24692190
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide?
The IUPAC name of 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide (CID 139930594) is 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide.
What is the SMILES notation for 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide?
The canonical SMILES for 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide is CCC(C)(SCc1cccnc1)C(N)=O.
What is the InChIKey of 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide?
The InChIKey is VJEUYAXSMSSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-11(2,10(12)14)15-8-9-5-4-6-13-7-9/h4-7H,3,8H2,1-2H3,(H2,12,14).
What are the key properties of 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide?
2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide has a molecular weight of 224.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 139930594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).