2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide

C11H17N3O2S — CID 62113814

IUPAC2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)c1ccncc1N
InChIInChI=1S/C11H17N3O2S/c1-8(2)14(3)11(15)7-17(16)10-4-5-13-6-9(10)12/h4-6,8H,7,12H2,1-3H3
InChIKeyGWNUGRPPYCRUDH-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.64
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide

2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 62113814) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID62113814
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)c1ccncc1N
InChIInChI=1S/C11H17N3O2S/c1-8(2)14(3)11(15)7-17(16)10-4-5-13-6-9(10)12/h4-6,8H,7,12H2,1-3H3
InChIKeyGWNUGRPPYCRUDH-UHFFFAOYSA-N
XLogP0.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide (CID 62113814) is 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CS(=O)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GWNUGRPPYCRUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(2)14(3)11(15)7-17(16)10-4-5-13-6-9(10)12/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide?
2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 62113814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).