N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C14H23ClN4O3S — CID 120875459

IUPACN-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCC(N)(CC)CC)cc12.Cl
InChIInChI=1S/C14H22N4O3S.ClH/c1-4-12-11-7-10(8-16-13(11)21-18-12)22(19,20)17-9-14(15,5-2)6-3;/h7-8,17H,4-6,9,15H2,1-3H3;1H
InChIKeyISDIRZRXMXDMHU-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.00
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120875459) has the molecular formula C14H23ClN4O3S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120875459
Molecular FormulaC14H23ClN4O3S
Molecular Weight362.88 g/mol
Exact Mass362.12
IUPAC NameN-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCC(N)(CC)CC)cc12.Cl
InChIInChI=1S/C14H22N4O3S.ClH/c1-4-12-11-7-10(8-16-13(11)21-18-12)22(19,20)17-9-14(15,5-2)6-3;/h7-8,17H,4-6,9,15H2,1-3H3;1H
InChIKeyISDIRZRXMXDMHU-UHFFFAOYSA-N
XLogP2.00
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 75522790
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120876503
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711887
3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120877205
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 119051525
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 120874752

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120875459) is N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is CCc1noc2ncc(S(=O)(=O)NCC(N)(CC)CC)cc12.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is ISDIRZRXMXDMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.ClH/c1-4-12-11-7-10(8-16-13(11)21-18-12)22(19,20)17-9-14(15,5-2)6-3;/h7-8,17H,4-6,9,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120875459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).