N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide

C11H13N3O3S — CID 91814434

IUPACN-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCc1cnoc1)c1cccnc1
InChIInChI=1S/C11H13N3O3S/c15-18(16,11-4-2-5-12-8-11)14-6-1-3-10-7-13-17-9-10/h2,4-5,7-9,14H,1,3,6H2
InChIKeyYFSMKTFEQBYJTM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.98
Rot. Bonds6

About N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide

N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide (PubChem CID 91814434) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
PubChem CID91814434
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCc1cnoc1)c1cccnc1
InChIInChI=1S/C11H13N3O3S/c15-18(16,11-4-2-5-12-8-11)14-6-1-3-10-7-13-17-9-10/h2,4-5,7-9,14H,1,3,6H2
InChIKeyYFSMKTFEQBYJTM-UHFFFAOYSA-N
XLogP0.98
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
N-propylpyridine-3-sulfonamide
CID 43258995
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
CID 114171596
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122289528
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 7150777
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide (CID 91814434) is N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCc1cnoc1)c1cccnc1.
What is the InChIKey of N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is YFSMKTFEQBYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-18(16,11-4-2-5-12-8-11)14-6-1-3-10-7-13-17-9-10/h2,4-5,7-9,14H,1,3,6H2.
What are the key properties of N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91814434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).