[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid

C9H13N3O4S — CID 66957874

IUPAC[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
SMILESCCS(=O)(=O)Nc1ncccc1CNC(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)12-8-7(4-3-5-10-8)6-11-9(13)14/h3-5,11H,2,6H2,1H3,(H,10,12)(H,13,14)
InChIKeyNONYQVGRVNAIAD-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.61
Rot. Bonds5

About [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid

[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid (PubChem CID 66957874) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
PubChem CID66957874
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
SMILESCCS(=O)(=O)Nc1ncccc1CNC(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)12-8-7(4-3-5-10-8)6-11-9(13)14/h3-5,11H,2,6H2,1H3,(H,10,12)(H,13,14)
InChIKeyNONYQVGRVNAIAD-UHFFFAOYSA-N
XLogP0.61
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 123946120
N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
CID 122468746
N-[3-[[[2-(4-acetylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91409822
3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
2-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 123719069
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
N-[4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpiperidin-4-yl]benzamide
CID 140564556
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide
CID 67099993
N-[3-[[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 123417886

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid (CID 66957874) is [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid is CCS(=O)(=O)Nc1ncccc1CNC(=O)O.
What is the InChIKey of [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid?
The InChIKey is NONYQVGRVNAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-17(15,16)12-8-7(4-3-5-10-8)6-11-9(13)14/h3-5,11H,2,6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid?
[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid has a molecular weight of 259.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 66957874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).