N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide

C10H15N3O3S — CID 162442564

IUPACN-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide
SMILESCCS(=O)(=O)c1cc(N(C)C(C)=O)cnc1N
InChIInChI=1S/C10H15N3O3S/c1-4-17(15,16)9-5-8(6-12-10(9)11)13(3)7(2)14/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyQASZNUVCTPEPOF-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.44
Rot. Bonds3

About N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide

N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide (PubChem CID 162442564) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide
PubChem CID162442564
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide
SMILESCCS(=O)(=O)c1cc(N(C)C(C)=O)cnc1N
InChIInChI=1S/C10H15N3O3S/c1-4-17(15,16)9-5-8(6-12-10(9)11)13(3)7(2)14/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyQASZNUVCTPEPOF-UHFFFAOYSA-N
XLogP0.44
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide?
The IUPAC name of N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide (CID 162442564) is N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide.
What is the SMILES notation for N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide?
The canonical SMILES for N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide is CCS(=O)(=O)c1cc(N(C)C(C)=O)cnc1N.
What is the InChIKey of N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide?
The InChIKey is QASZNUVCTPEPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-17(15,16)9-5-8(6-12-10(9)11)13(3)7(2)14/h5-6H,4H2,1-3H3,(H2,11,12).
What are the key properties of N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide?
N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide has a molecular weight of 257.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethylsulfonyl-3-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 162442564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).