N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride

C12H21ClN4O4S — CID 119515101

IUPACN-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-9(2)20-5-6-21(18,19)15-8-12(17)16-10-3-4-11(13)14-7-10;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,13,14)(H,16,17);1H
InChIKeyFAQVNCFOQHVXKL-UHFFFAOYSA-N
MW352.84 g/mol
LogP0.37
Rot. Bonds8

About N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride

N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride (PubChem CID 119515101) has the molecular formula C12H21ClN4O4S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
PubChem CID119515101
Molecular FormulaC12H21ClN4O4S
Molecular Weight352.84 g/mol
Exact Mass352.10
IUPAC NameN-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-9(2)20-5-6-21(18,19)15-8-12(17)16-10-3-4-11(13)14-7-10;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,13,14)(H,16,17);1H
InChIKeyFAQVNCFOQHVXKL-UHFFFAOYSA-N
XLogP0.37
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696279
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119527625
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
N-(6-amino-3-pyridinyl)-3,5-dimethylhexanamide;hydrochloride
CID 119516110
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119516505
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119618069
N-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
N-(6-amino-3-pyridinyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119516013
N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110407155

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride (CID 119515101) is N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride is CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(N)nc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The InChIKey is FAQVNCFOQHVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S.ClH/c1-9(2)20-5-6-21(18,19)15-8-12(17)16-10-3-4-11(13)14-7-10;/h3-4,7,9,15H,5-6,8H2,1-2H3,(H2,13,14)(H,16,17);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride is sourced from PubChem (CID 119515101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).