N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide

C11H18FN3O2S — CID 62009438

IUPACN-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H18FN3O2S/c1-4-15(11(2,3)8-13)18(16,17)10-5-9(12)6-14-7-10/h5-7H,4,8,13H2,1-3H3
InChIKeyBOVZWMXVKBQRFR-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.97
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide (PubChem CID 62009438) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
PubChem CID62009438
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H18FN3O2S/c1-4-15(11(2,3)8-13)18(16,17)10-5-9(12)6-14-7-10/h5-7H,4,8,13H2,1-3H3
InChIKeyBOVZWMXVKBQRFR-UHFFFAOYSA-N
XLogP0.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide (CID 62009438) is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide is CCN(C(C)(C)CN)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The InChIKey is BOVZWMXVKBQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-4-15(11(2,3)8-13)18(16,17)10-5-9(12)6-14-7-10/h5-7H,4,8,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 62009438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).