(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid

C10H14N2O4S — CID 164566528

IUPAC(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)O)nc1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)7-4-5-8(11-6-7)17(15,16)12-9(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyCTHDKAXOTZUJHD-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.34
Rot. Bonds2

About (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid

(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid (PubChem CID 164566528) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid.

Molecular Properties

Compound Name(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid
PubChem CID164566528
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)O)nc1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)7-4-5-8(11-6-7)17(15,16)12-9(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyCTHDKAXOTZUJHD-UHFFFAOYSA-N
XLogP1.34
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
CID 166231144
(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100633749
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
(5-tert-butyl-2-pyridinyl) hydrogen carbonate
CID 118071933
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 142054275
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
2-cyclohexyloxy-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
CID 99707391
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid?
The IUPAC name of (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid (CID 164566528) is (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid.
What is the SMILES notation for (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid?
The canonical SMILES for (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid is CC(C)(C)c1ccc(S(=O)(=O)NC(=O)O)nc1.
What is the InChIKey of (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid?
The InChIKey is CTHDKAXOTZUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)7-4-5-8(11-6-7)17(15,16)12-9(13)14/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid?
(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid has a molecular weight of 258.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid is sourced from PubChem (CID 164566528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).