2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide

C11H17N3O3S — CID 54957221

IUPAC2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)c1ncccc1N
InChIInChI=1S/C11H17N3O3S/c1-8(6-17-2)14-10(15)7-18(16)11-9(12)4-3-5-13-11/h3-5,8H,6-7,12H2,1-2H3,(H,14,15)
InChIKeyUGEQLGJGANWBJJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.08
Rot. Bonds6

About 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide

2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 54957221) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID54957221
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)c1ncccc1N
InChIInChI=1S/C11H17N3O3S/c1-8(6-17-2)14-10(15)7-18(16)11-9(12)4-3-5-13-11/h3-5,8H,6-7,12H2,1-2H3,(H,14,15)
InChIKeyUGEQLGJGANWBJJ-UHFFFAOYSA-N
XLogP-0.08
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
CID 61368103
2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
CID 81190581
4-bromo-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfinylbenzoic acid
CID 115382582
2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
CID 61369423
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-(2,2-difluoroethylsulfinyl)pyridin-3-amine
CID 61367922
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 115936108
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide (CID 54957221) is 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)c1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is UGEQLGJGANWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(6-17-2)14-10(15)7-18(16)11-9(12)4-3-5-13-11/h3-5,8H,6-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide?
2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 271.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 54957221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).