2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide

C12H20N4O3S — CID 65427421

IUPAC2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H20N4O3S/c1-4-8-16(9-11(17)15(2)3)20(18,19)10-6-5-7-14-12(10)13/h5-7H,4,8-9H2,1-3H3,(H2,13,14)
InChIKeyIWWCVRMCDCJVTC-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.15
Rot. Bonds6

About 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide

2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide (PubChem CID 65427421) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
PubChem CID65427421
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H20N4O3S/c1-4-8-16(9-11(17)15(2)3)20(18,19)10-6-5-7-14-12(10)13/h5-7H,4,8-9H2,1-3H3,(H2,13,14)
InChIKeyIWWCVRMCDCJVTC-UHFFFAOYSA-N
XLogP0.15
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide (CID 65427421) is 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is IWWCVRMCDCJVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-8-16(9-11(17)15(2)3)20(18,19)10-6-5-7-14-12(10)13/h5-7H,4,8-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 65427421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).