2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide

C12H21N3O3S — CID 62151483

IUPAC2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H21N3O3S/c1-4-10(2)15(7-8-18-3)19(16,17)11-5-6-14-12(13)9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,13,14)
InChIKeyWQAVDWWBHMVALC-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.10
Rot. Bonds7

About 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide

2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide (PubChem CID 62151483) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
PubChem CID62151483
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H21N3O3S/c1-4-10(2)15(7-8-18-3)19(16,17)11-5-6-14-12(13)9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,13,14)
InChIKeyWQAVDWWBHMVALC-UHFFFAOYSA-N
XLogP1.10
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide (CID 62151483) is 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide?
The InChIKey is WQAVDWWBHMVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-10(2)15(7-8-18-3)19(16,17)11-5-6-14-12(13)9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide?
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62151483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).