2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

C11H16N4O2S — CID 43302053

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C11H16N4O2S/c1-7(2)14-11(17)15-10(16)6-18-8-3-4-9(12)13-5-8/h3-5,7H,6H2,1-2H3,(H2,12,13)(H2,14,15,16,17)
InChIKeyPWHHOGBOFJKLCV-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.99
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 43302053) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID43302053
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C11H16N4O2S/c1-7(2)14-11(17)15-10(16)6-18-8-3-4-9(12)13-5-8/h3-5,7H,6H2,1-2H3,(H2,12,13)(H2,14,15,16,17)
InChIKeyPWHHOGBOFJKLCV-UHFFFAOYSA-N
XLogP0.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063
2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 43301773
4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43242280
propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
CID 43301597
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596
2-[(6-amino-3-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309763
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43302066
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 43302053) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CSc1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is PWHHOGBOFJKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(2)14-11(17)15-10(16)6-18-8-3-4-9(12)13-5-8/h3-5,7H,6H2,1-2H3,(H2,12,13)(H2,14,15,16,17).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 43302053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).