2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide

C11H17N3OS — CID 43300815

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ncccc1N
InChIInChI=1S/C11H17N3OS/c1-3-8(2)14-10(15)7-16-11-9(12)5-4-6-13-11/h4-6,8H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyIBDJBESAVRRGDC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide

2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide (PubChem CID 43300815) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
PubChem CID43300815
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ncccc1N
InChIInChI=1S/C11H17N3OS/c1-3-8(2)14-10(15)7-16-11-9(12)5-4-6-13-11/h4-6,8H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyIBDJBESAVRRGDC-UHFFFAOYSA-N
XLogP1.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4130449
propan-2-yl 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 5226412
N-[(2R)-butan-2-yl]-2-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-ylsulfanyl)acetamide
CID 92870305
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
N-[(2S)-butan-2-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897248
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
N-[(2R)-1-hydroxypropan-2-yl]-2-isoquinolin-1-ylsulfanylacetamide
CID 27209739
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
3-[(3-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61319672

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide (CID 43300815) is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CSc1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide?
The InChIKey is IBDJBESAVRRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-8(2)14-10(15)7-16-11-9(12)5-4-6-13-11/h4-6,8H,3,7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide?
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide is sourced from PubChem (CID 43300815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).